SCHEMBL1377656

SCHEMBL1377656

Nc1ccc(O)c(-c2cscc2Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
PDE10A Q9Y233 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
HSD17B10 Q99714 6/20 0.40
ALOX15 P16050 5/20 0.40
CASP1 P29466 4/20 0.40
THRB P10828 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
CASP7 P55210 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 1/20 0.40
APP P05067 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 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
SCHEMBL5704921 0.89 CA1 (0.48) CA1CA2PDE10AESR1ESR2
SCHEMBL9402506 0.79 PDE10A (0.64) CA1CA2PDE10AESR2HSD17B10
SCHEMBL30880219 0.79 PDE10A (0.64) CA1CA2PDE10AESR2HSD17B10
SCHEMBL29518540 0.79 PDE10A (0.64) CA1CA2PDE10AESR2HSD17B10
SCHEMBL1379376 0.79 PDE10A (0.61) CA1CA2PDE10AESR1ESR2
Hydrochloric Acid SCHEMBL6291520 0.78 PDE10A (0.59) CA1CA2PDE10AESR1ESR2
SCHEMBL6573399 0.76 PLA2G7 (0.62) CA1CA2PDE10AHSD17B10ALOX15
Ethane SCHEMBL28807032 0.75 PDE10A (0.65) CA1CA2PDE10AESR2HSD17B10
SCHEMBL1380630 0.75 ERN1 (0.41) CA1CA2PDE10AESR2HSD17B10
SCHEMBL6783805 0.73 PDE10A (0.56) CA1CA2PDE10AESR2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4785024-B2 2011-10-05 JP claimed
US-6840965-B2 P-aminophenols and colorants containing said compounds WELLA AKTIENGESELLSCHAFT (DE) 2005-01-11 US claimed
EP-1222166-B1 NOVEL P-AMINOPHENOLS AND COLORANTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2003-08-13 EP claimed
US-20030110577-A1 Novel p-aminophenols and colorants containing said compounds WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-06-19 US claimed
EP-1222166-A2 NOVEL P-AMINOPHENOLS AND COLORANTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2002-07-17 EP claimed
WO-2001085683-A2 PYRROLYL-, FURANYL- AND THIENYL-SUBSTITUTED P-AMINOPHENOLS AND COLORANTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2001-11-15 WO claimed
US-6840965-B2 P-aminophenols and colorants containing said compounds WELLA AKTIENGESELLSCHAFT (DE) 2005-01-11 US disclosed
EP-1222166-B1 NOVEL P-AMINOPHENOLS AND COLORANTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2003-08-13 EP disclosed
US-20030110577-A1 Novel p-aminophenols and colorants containing said compounds WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-06-19 US disclosed
EP-1222166-A2 NOVEL P-AMINOPHENOLS AND COLORANTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2002-07-17 EP disclosed
WO-2001085683-A2 PYRROLYL-, FURANYL- AND THIENYL-SUBSTITUTED P-AMINOPHENOLS AND COLORANTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2001-11-15 WO 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 (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-20030110577-A1 Novel p-aminophenols and colorants containing said compounds ALPP, GSTP1, GPX4 CA1 3303/4885CA2 1638/4885PDE10A 1900/4885

“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.