SCHEMBL2544770

SCHEMBL2544770

C=CCn1c[c]c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
MAPT P10636 3/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.34
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 4/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL2551017 0.76 SLC2A1 (0.31) LMNAKDM4EPOLB
SCHEMBL2543891 0.76 KDM4E (0.31) LMNAKDM4EPOLB
SCHEMBL7132590 0.75 MEN1 (0.42) MEN1KMT2APDE4BPDE4DMAPT
SCHEMBL9581979 0.75
SCHEMBL5497340 0.75 ALDH1A1 (0.34) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL2548441 0.74 HTR1A (0.34) MEN1KMT2APDE4BPDE4DMAPT
SCHEMBL6015950 0.73 KMT2A (0.50) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL2547432 0.73 HTR1A (0.34) PDE4BRAB9ANPC1LMNAKDM4E
SCHEMBL6236614 0.72 SLC9A1 (0.37) MEN1KMT2AMAPTUSP2LMNA
SCHEMBL694560 0.72 TNF (0.44) MEN1KMT2ALMNAKDM4EALDH1A1

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
CN-112521382-A Aloe-emodin thiazolidinedione compound and preparation method and application thereof 西南大学 2021-03-19 CN claimed
US-6747053-B2 Heteroaryl nitriles ROCHE PALO ALTO LLC 2004-06-08 US claimed
US-6693098-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIVES CONTAINING CARBAMATE GROUPS ARE USEFUL FOR TREATING THE CONDITIONS ASSOCIATED WITH THE URINARY TRACT, PAIN, INFLAMMATION, RESPIRATORY STATES, EDEMA FORMATION OF HYPOTENSIVE VASCULAR DISEASES SYNTEX (U.S.A) LLC 2004-02-17 US claimed
US-20030212097-A1 Heteroaryl nitriles ROCHE PALO ALTO LLC 2003-11-13 US claimed
EP-1321169-A1 Combination of a serotonin receptor antagonist with a histidine decarboxylase inhibitor as a medicament Biofrontera Pharmaceuticals AG (DE) 2003-06-25 EP claimed
EP-0966456-B1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF UNIV NEW YORK STATE RES FOUND (US) 2003-04-02 EP claimed
EP-0923550-B1 ACYLAMINOALKENYLENE-AMIDE DERIVATIVES AS NK1 AND NK2 ANTAGONISTS NOVARTIS AG (CH) 2002-09-25 EP claimed
US-6319917-B1 NEUROGENIC INFLAMMATION AND TACHYKININ BRONCHOCONSTRICTION INHIBITORS NOVARTIS AG (CH) 2001-11-20 US claimed
EP-0923550-A1 ACYLAMINOALKENYLENE-AMIDE DERIVATIVES AS NK1 AND NK2 ANTAGONISTS Novartis AG (CH) 1999-06-23 EP claimed
US-5863924-A Aryl pyrimidine derivatives SYNTEX (U.S.A.) INC. (US) 1999-01-26 US claimed
US-5811452-A ADMINISTERING WITH PACLITAXEL OR DOXORUBICIN THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-09-22 US claimed
WO-1998007694-A1 ACYLAMINOALKENYLENE-AMIDE DERIVATIVES AS NK1 AND NK2 ANTAGONISTS NOVARTIS AG (CH) 1998-02-26 WO claimed
EP-0540956-B1 Process for the manufacture of substituted maleimides HOFFMANN LA ROCHE (CH) 1997-09-03 EP claimed
EP-0540956-A1 Process for the manufacture of substituted maleimides F. HOFFMANN-LA ROCHE AG (CH) 1993-05-12 EP claimed
EP-0350403-B1 (AZA)NAPHTHALENESULTAM DERIVATIVES, PROCESS FOR THEIR PREPARATION AND DRUGS CONTAINING SAME RHONE-POULENC SANTE (FR) 1993-01-13 EP claimed
US-5036075-A Serotonin antagonists RHONE-POULENC SANTE (FR) 1991-07-30 US claimed
US-5021420-A Antiserotonine agents; central nervous system, gastroin-testinal and cardiovascular disorders RHONE-POULENC SANTE (FR) 1991-06-04 US claimed
US-4355823-A Pressure-sensitive or heat-sensitive recording material CIBA-GEIGY CORPORATION (US) 1982-10-26 US claimed
US-11299513-B2 Cyclative release of peptidic compounds CIRCLE PHARMA, INC. (US) 2022-04-12 US disclosed
US-4254032-A COLOR FORMERS FOR HEAT SENSITIVE OR PRESSURE SENSITIVE ELEMENTS CIBA-GEIGY CORPORATION (US) 1981-03-03 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 (2 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-11299513-B2 Cyclative release of peptidic compounds VIP, FURIN, PTMS MEN1 890/4885KMT2A 4453/4885PDE4B 1397/4885
US-20030212097-A1 Heteroaryl nitriles UACA, FPR1, GSTA1 MEN1 1396/4885KMT2A 4691/4885PDE4B 3161/4885

“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.