SCHEMBL533470

SCHEMBL533470

COc1ccc2n[c]sc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP3A4 P08684 2/20 0.49
RAB9A P51151 7/20 0.48
NPC1 O15118 6/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
MEN1 O00255 5/20 0.48
MAPT P10636 5/20 0.48
KMT2A Q03164 5/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
PDK1 Q15118 1/20 0.47
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
GAA P10253 2/20 0.43
TP53 P04637 1/20 0.43
CYP2C9 P11712 1/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43

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
SCHEMBL5540744 0.86 ABL1 (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL2160767 0.85 RAB9A (0.43) CYP1A2CYP2C19CYP3A4RAB9ANPC1
SCHEMBL227271 0.81 KMT2A (0.53) CYP1A2CYP2C19CYP3A4RAB9ANPC1
SCHEMBL10820992 0.78 CA2 (0.50) CYP3A4MAPTKMT2AALDH1A1GAA
SCHEMBL4780658 0.77 NPC1 (0.53) CYP1A2CYP3A4RAB9ANPC1SMN1; SMN2
SCHEMBL5535853 0.76 KDR (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL8014001 0.75 CA1 (0.49) CYP3A4ALDH1A1GAATP53LMNA
SCHEMBL970760 0.75 LTA4H (0.45) CYP1A2MAPTALDH1A1LMNAKDM4E
SCHEMBL212513 0.75 MAPT (0.44) CYP1A2RAB9ANPC1MEN1MAPT
SCHEMBL4375821 0.74 PDGFRA (0.64)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197277-B1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION INC (US) 2021-12-22 EP claimed
CN-107441100-B Compounds for treating ischemia reperfusion injury 武汉惠康达科技有限公司 2020-08-28 CN claimed
US-20170283439-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CCHDI Foundation Inc. (US) 2017-10-05 US claimed
EP-3197277-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2017-08-02 EP claimed
WO-2016033440-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. (US) 2016-03-03 WO claimed
US-8937184-B2 1H-imidazole derivatives as cannabinoid CB2 receptor modulators ABBVIE B.V. (NL) 2015-01-20 US claimed
US-8293774-B2 Optically active (R)-aryloxypropionic acid amides and herbicidal composition comprising same KYUNG NONG CORPORATION (KR) 2012-10-23 US claimed
US-20100279871-A1 OPTICALLY ACTIVE (R)-ARYLOXYPROPIONIC ACID AMIDES AND HERBICIDAL COMPOSITION COMPRISING SAME KYUNG NONG CORPORATION (KR) 2010-11-04 US claimed
EP-2183213-A2 OPTICALLY ACTIVE (R)-ARYLOXYPROPIONIC ACID AMIDES AND HERBICIDAL COMPOSITION COMPRISING SAME Kyung Nong Corporation (KR) 2010-05-12 EP claimed
WO-2009005297-A2 OPTICALLY ACTIVE (R)-ARYLOXYPROPIONIC ACID AMIDES AND HERBICIDAL COMPOSITION COMPRISING SAME KYUNG NONG CORPORATION (KR) 2009-01-08 WO claimed
US-20020042501-A1 Pyrazole compounds DERMIRA (CANADA), INC. 2002-04-11 US claimed
WO-2001077080-A2 PYRAZOLE COMPOUNDS HAVING ANTI PROLIFERATIVE ACTIVITY KINETEK PHARMACEUTICALS, INC. (CA) 2001-10-18 WO claimed
WO-2000012082-A1 FORMAMIDE COMPOUNDS AS THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2000-03-09 WO claimed
US-5310888-A Calcium detection MILES INC. (US) 1994-05-10 US claimed
US-4994563-A Dyeing, printing cellulose, silk, wool, synthetic polyamides; colorfastness CIBA-GEIGY CORPORATION (US) 1991-02-19 US claimed
EP-0349486-A2 Azo dyes, their preparation and their use CIBA-GEIGY AG (CH) 1990-01-03 EP claimed
US-4614804-A PRINTING, DYEING CELLULOSE BASF AKTIENGESELLSCHAFT (DE) 1986-09-30 US claimed
US-4525591-A BROWQN PIGMENT BASF AKTIENGESELLSCHAFT (DE) 1985-06-25 US claimed
US-4038268-A DIAZOTIZATION, COUPLING BAYER AKTIENGESELLSCHAFT (DT) 1977-07-26 US claimed
US-4022762-A Water-soluble acid azo dyestuff containing a N-(p-sulphophenoxyalkyl)-N-alkyl amino group PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1977-05-10 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-20100279871-A1 OPTICALLY ACTIVE (R)-ARYLOXYPROPIONIC ACID AMIDES AND HERBICIDAL COMPOSITION COMPRISING SAME AADAC, DDT, NOTUM CYP1A2 90/4885CYP2C19 169/4885CYP3A4 259/4885
US-20170283439-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 CYP1A2 4836/4885CYP2C19 4805/4885CYP3A4 4877/4885

“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.