SCHEMBL2859876

SCHEMBL2859876

CCCOc1cc(F)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
HTR2A P28223 1/20 0.44
HPGD P15428 3/20 0.41
PKM P14618 1/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL8297680 0.91 CYP1A2 (0.44) FFAR1FFAR4HPGDPKMMAPT
SCHEMBL18053754 0.85 PKM (0.56) HTR2CHTR2BHTR2AHPGDPKM
SCHEMBL1808652 0.85 FFAR1 (0.48) FFAR1FFAR4HPGDPKMMAPT
SCHEMBL30294538 0.85 FFAR1 (0.48) FFAR1FFAR4HPGDPKMMAPT
SCHEMBL12668117 0.84 FFAR1 (0.43) FFAR1FFAR4HPGDPKMMAPT
SCHEMBL10039708 0.83 FFAR1 (0.47) FFAR1FFAR4HPGDPKMMAPT
Fluoride SCHEMBL28350549 0.83 FFAR1 (0.47) FFAR1FFAR4HPGDPKMMAPT
SCHEMBL31040072 0.83 FFAR1 (0.47) FFAR1FFAR4HPGDPKMMAPT
SCHEMBL3102904 0.81 FFAR1 (0.49) FFAR1FFAR4PKMSCDSCD5
SCHEMBL3111588 0.81 FFAR1 (0.46) FFAR1FFAR4HPGDPKMMAPT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040751-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2018-08-07 US disclosed
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
EP-2148878-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2010-02-03 EP disclosed
EP-1380576-B1 1H-INDAZOLE COMPOUNDS INHIBITING JNK EISAI R&D MAN CO LTD (JP) 2009-11-25 EP disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
WO-2008128335-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-10-30 WO disclosed
CN-1300116-C 1H-indazole compounds EISAI CO LTD (JP) 2007-02-14 CN disclosed
US-6982274-B2 1H-indazole compound EISAI CO., LTD. (JP) 2006-01-03 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 US disclosed
CN-1512987-A Novel 1H-indazole compound ������������ʽ���� 2004-07-14 CN disclosed
US-20040127538-A1 Novel 1h-indazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-01 US disclosed
EP-1380576-A1 NOVEL 1H-INDAZOLE COMPOUND Eisai Co., Ltd. (JP) 2004-01-14 EP 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 (4 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-10040751-B2 Intermediates for macrocyclic compounds MLNR, CCKAR, CHRM2 FFAR1 135/4885FFAR4 343/4885HTR2C 289/4885
US-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 FFAR1 1742/4885FFAR4 2994/4885HTR2C 739/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 FFAR1 2406/4885FFAR4 3023/4885HTR2C 641/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 FFAR1 1742/4885FFAR4 2994/4885HTR2C 739/4885

“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.