SCHEMBL96464

SCHEMBL96464

O=[C]Cc1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.52
IDO1 P14902 3/20 0.50
PNMT P11086 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 1/20 0.42
PYCR1 P32322 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
CHRM2 P08172 1/20 0.41
CTBP2 P56545 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL5535148 0.82 PNMT (0.56) TAAR1IDO1PNMTCYP1A2CYP3A4
SCHEMBL11480751 0.82 GABRA1 (0.36) TAAR1IDO1CYP1A2LMNA
SCHEMBL16958334 0.79 ALDH1A1 (0.42) TAAR1PNMTSMN1; SMN2LMNA
SCHEMBL3245739 0.79 TAAR1 (0.50) TAAR1IDO1PNMTNPC1RAB9A
SCHEMBL5325998 0.78 IDO1 (0.52) TAAR1IDO1PNMTCYP1A2CYP3A4
SCHEMBL5537535 0.77 TAAR1 (0.54) TAAR1IDO1PNMTNPC1RAB9A
SCHEMBL2953963 0.76 PKM (0.52) TAAR1IDO1PNMTCYP1A2CYP3A4
SCHEMBL1020369 0.76 IDO1 (0.50) TAAR1IDO1PNMTCYP1A2CYP3A4
SCHEMBL3714690 0.76 PTGS2 (0.60) CYP3A4CYP2C9LMNATSHR
Hydrochloric Acid SCHEMBL7824228 0.74 IDO1 (0.48) TAAR1IDO1PNMTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3743061-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS Pascal Biosciences Inc. (CA) 2020-12-02 EP claimed
US-RE48335-E1 Polymyxin derivatives as antimicrobial compounds MONASH UNIVERSITY (AU) 2020-12-01 US claimed
WO-2019144126-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS PASCAL BIOSCIENCES INC. (CA) 2019-07-25 WO claimed
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2017-05-18 US claimed
EP-3126376-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS Monash University (AU) 2017-02-08 EP claimed
WO-2015149131-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2015-10-08 WO claimed
WO-2015109451-A1 SYNTHESIS OF COMPOUNDS CONTAINING 8-OXA-3-AZABICYCLO (3.2.1)OCTANE RING RHODIA OPERATIONS (FR) 2015-07-30 WO claimed
EP-2042491-A1 Pyridazines as fungicides Bayer CropScience AG (DE) 2009-04-01 EP claimed
US-7417027-B2 Linear and cyclic melanocortin receptor-specific peptides PALATIN TECHNOLOGIES, INC. (US) 2008-08-26 US claimed
EP-1441750-A4 LINEAR AND CYCLIC MELANOCORTIN RECEPTOR-SPECIFIC PEPTIDES PALATIN TECHNOLOGIES INC (US) 2006-10-18 EP claimed
US-20020048774-A1 Liquid phase parallel synthesis of chemical libraries BRISTOL-MYERS SQUIBB PHARMA RESEARCH LABS, INC. 2002-04-25 US claimed
US-6245937-B1 COMBINATORIAL LIBRARIES OF CHEMICAL COMPOUNDS SYNTHESIZED BY BIPHASIC SYNTHESIS UTILIZING SPECIFIED TEMPLATES DUPONT PHARMACEUTICALS RESEARCH LABORATORIES, INC. 2001-06-12 US claimed
EP-0469887-B1 Acetamide derivatives ZENECA LTD (GB) 1994-12-14 EP claimed
US-5270342-A Acetamide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US claimed
EP-0469887-A1 Acetamide derivatives ZENECA LIMITED (GB) 1992-02-05 EP claimed
US-5049551-A Antitumor UBE INDUSTRIES, LTD. (JP) 1991-09-17 US claimed
EP-0400610-A1 5-Fluorouracil derivatives UBE INDUSTRIES, LTD. (JP) 1990-12-05 EP claimed
US-4742061-A Benzoc[c]-1,5-naphthyridines and related compounds as memory enhancing agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-05-03 US claimed
US-3975532-A ANALGESIC ICI UNITED STATES INC. (US) 1976-08-17 US claimed
US-3953596-A 8-Oxa-3-azabicyclo(3.2.1)octane analgesic compositions and method of alleviating pain in animals ICI UNITED STATES INC. (US) 1976-04-27 US claimed

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-20020048774-A1 Liquid phase parallel synthesis of chemical libraries CDK2, CDC25C, POLR2H TAAR1 3279/4885IDO1 1450/4885PNMT 989/4885
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS VIP, PEPD, NRDC TAAR1 4703/4885IDO1 3245/4885PNMT 1129/4885

“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.