SCHEMBL256699

SCHEMBL256699

CCc1c(-c2ccccc2)noc1C

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.59
PTGS2 P35354 2/20 0.59
GABRA5 P31644 11/20 0.57
ALDH1A1 P00352 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
PKM P14618 1/20 0.52
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 1/20 0.48
BRD4 O60885 1/20 0.47
BRD2 P25440 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12844155 0.86 PTGS1 (0.56) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL195699 0.84 PTGS1 (0.58) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL935024 0.84 PTGS1 (0.58) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL107436 0.84 PTGS1 (0.58) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL286436 0.84 PTGS1 (0.58) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL14789743 0.82 SMN1; SMN2 (0.41) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL14790148 0.82 GABRA5 (0.50) PTGS1PTGS2GABRA5ALDH1A1NPSR1
Water SCHEMBL27477176 0.82 PTGS1 (0.56) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL29787341 0.81 PTGS2 (0.69) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL18885135 0.81 GABRA5 (0.65) PTGS1PTGS2GABRA5ALDH1A1NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183286-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA NOVARTIS AG (CH) 2023-06-15 US disclosed
US-20230183286-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA NOVARTIS AG (CH) 2023-06-15 US disclosed
EP-3904366-A1 END CAPPED NUCLEIC ACID MOLECULES Novartis AG (CH) 2021-11-03 EP disclosed
US-10738010-B2 Process for preparing [(3-hydroxypyridine-2-carbonyl)amino] alkanoic acids, esters and amides AKEBIA THERAPEUTICS, INC. (US) 2020-08-11 US disclosed
US-20200190132-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2020-06-18 US disclosed
US-10676499-B2 3′ end caps, 5′ end caps and combinations thereof for therapeutic RNA NOVARTIS AG (CH) 2020-06-09 US disclosed
EP-3233858-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 EP disclosed
US-RE47415-E1 Pyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-06-04 US disclosed
US-RE47267-E1 Pyridinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-03-05 US disclosed
US-20180002368-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-01-04 US disclosed
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20080139599-A1 Phenylbenzoic Acid Derivatives, Processes for the Preparation Thereof, Pharmaceutical Compositions Comprising Them, and Therapeutic Uses Thereof MERCK PATENT GMBH (DE) 2008-06-12 US disclosed
US-20080139599-A1 Phenylbenzoic Acid Derivatives, Processes for the Preparation Thereof, Pharmaceutical Compositions Comprising Them, and Therapeutic Uses Thereof MERCK PATENT GMBH (DE) 2008-06-12 US disclosed
EP-1878733-A1 Pyrimidine derivatives as ALK-5 inhibitors Novartis AG (CH) 2008-01-16 EP disclosed
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 US disclosed
WO-2007128410-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2007-11-15 WO disclosed
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity CUENOUD BERNARD 2007-10-25 US disclosed
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity CUENOUD BERNARD 2007-10-25 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 PTGS1 1005/4885PTGS2 1588/4885GABRA5 262/4885
US-10738010-B2 Process for preparing [(3-hydroxypyridine-2-carbonyl)amino] alkanoic acids, esters and amides HPD, APEH, P4HA1 PTGS1 596/4885PTGS2 686/4885GABRA5 943/4885
US-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 PTGS1 1002/4885PTGS2 2236/4885GABRA5 169/4885
US-20230183286-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA RNGTT, NSUN2, NSUN3 PTGS1 4422/4885PTGS2 4332/4885GABRA5 3867/4885
US-20200190132-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA RNGTT, NSUN2, NSUN3 PTGS1 4422/4885PTGS2 4332/4885GABRA5 3867/4885
US-20080139599-A1 Phenylbenzoic Acid Derivatives, Processes for the Preparation Thereof, Pharmaceutical Compositions Comprising Them, and Therapeutic Uses Thereof APOB, PCSK9, TGFB1 PTGS1 541/4885PTGS2 1760/4885GABRA5 971/4885
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C PTGS1 670/4885PTGS2 356/4885GABRA5 78/4885
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 PTGS1 1965/4885PTGS2 2374/4885GABRA5 2963/4885
US-20180002368-A1 NOVEL 3' END CAPS, 5' END CAPS AND COMBINATIONS THEREOF FOR THERAPEUTIC RNA NSUN2, NSUN3, RNGTT PTGS1 4638/4885PTGS2 4545/4885GABRA5 3652/4885
US-10676499-B2 3′ end caps, 5′ end caps and combinations thereof for therapeutic RNA RNGTT, NSUN3, NSUN2 PTGS1 4321/4885PTGS2 4173/4885GABRA5 3626/4885
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use PTPRCAP, PTPRC, PPP5C PTGS1 2883/4885PTGS2 2991/4885GABRA5 4436/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.