SCHEMBL3736025

SCHEMBL3736025

O=[C]Cc1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.48
HTR2A P28223 1/20 0.48
CYP2A6 P11509 1/20 0.42
IDO1 P14902 3/20 0.41
PYCR1 P32322 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOB P27338 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PLCG1 P19174 1/20 0.36
HTR1D P28221 1/20 0.35
TGM2 P21980 1/20 0.35

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
SCHEMBL11139354 0.86 CYP3A4 (0.42) KMT2A
SCHEMBL7069164 0.79 TSHR (0.43)
SCHEMBL18245048 0.79 TAAR1 (0.42) TAAR1HTR2ACYP2A6IDO1PYCR1
SCHEMBL18427888 0.78 HRH3 (0.41) TAAR1MAOBHRH3
SCHEMBL4228681 0.78 CYP2A6 (0.47) TAAR1HTR2ACYP2A6IDO1PYCR1
SCHEMBL98012 0.75 TAAR1 (0.50) TAAR1HTR2ACYP2A6IDO1PYCR1
SCHEMBL8625033 0.74 HRH3 (0.50) TAAR1HRH3
SCHEMBL18770738 0.74 PYCR1 (0.54) TAAR1HTR2ACYP2A6IDO1PYCR1
SCHEMBL9818315 0.74 IDO1 (0.39) TAAR1IDO1
SCHEMBL910567 0.74 ESR1 (0.57) TAAR1IDO1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107686475-A 2,3,5 3 substituted thiophenes, derivative and its synthetic method 湘潭大学 2018-02-13 CN 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-20050038230-A1 Linear and cyclic melanocortin receptor-specific peptides PALATIN TECHNOLOGIES, INC. (US) 2005-02-17 US claimed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
EP-1441750-A2 LINEAR AND CYCLIC MELANOCORTIN RECEPTOR-SPECIFIC PEPTIDES Palatin Technologies, Inc. (US) 2004-08-04 EP claimed
WO-2003006620-A2 LINEAR AND CYCLIC MELANOCORTIN RECEPTOR-SPECIFIC PEPTIDES PALATIN TECHNOLOGIES, INC. (US) 2003-01-23 WO claimed
US-6388081-B1 4-substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries LION BIOSCIENCE AG (DE) 2002-05-14 US claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
EP-0977989-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2000-02-09 EP claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
EP-0315367-B1 Polypeptides ICI PLC (GB) 1994-04-06 EP claimed
US-5068222-A Polypeptides for treatment of cancer IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-11-26 US 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
EP-0263022-B1 MESOMORPHIC POLYMERS CONTAINING SIDE CHAINS, DERIVED FROM 1-(PHENYL)-2-(4-CYANOPHENYL) ETHANE THOMSON-CSF (FR) 1990-11-07 EP claimed
EP-0315367-A2 Polypeptides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-10 EP claimed
CN-85102604-A RESINA-TYPE FLUX OF BRAZING 1985-12-20 CN 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 (1 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-20050038230-A1 Linear and cyclic melanocortin receptor-specific peptides MC1R, MC3R, MC5R TAAR1 139/4885HTR2A 123/4885CYP2A6 4068/4885

“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.