SCHEMBL6186809

SCHEMBL6186809

O=[N+]([O-])c1ccc(Oc2cc[c]cc2)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.49
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.39
SIRT6 Q8N6T7 1/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL4847049 0.90 GPR35 (0.58) GPR35ALDH1A1MAPTHPGDKDM4E
SCHEMBL27988511 0.88 ALDH1A1 (0.49) GPR35ALDH1A1MAPTHPGDKDM4E
SCHEMBL7583285 0.84 GPR35 (0.51) GPR35ALDH1A1KDM4ETDP1THRB
SCHEMBL4839671 0.83 GPR35 (0.55) GPR35ALDH1A1MAPTHPGDKDM4E
SCHEMBL5955410 0.83 LTA4H (0.52) GPR35ALDH1A1MAPTHPGDLMNA
SCHEMBL4840927 0.82 GPR35 (0.53) GPR35ALDH1A1MAPTHPGDKDM4E
SCHEMBL10509625 0.81 TSHR (0.50) ALDH1A1TDP1HTTTHRBMEN1
SCHEMBL4841623 0.81 PTPN1 (0.50) GPR35ALDH1A1MAPTHPGDKDM4E
SCHEMBL4847624 0.81 GPR35 (0.51) GPR35ALDH1A1MAPTHPGDKDM4E
SCHEMBL7008104 0.81 MEN1 (0.52) ALDH1A1MAPTKDM4ELMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546089-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TransTech Pharma Inc. (US) 2005-06-29 EP claimed
US-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TRANSTECH PHARMA, LLC 2004-06-10 US claimed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO 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-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TFPI, F9, TFPI2 GPR35 3598/4885ALDH1A1 3511/4885MAPT 3058/4885

“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.