SCHEMBL1379376

SCHEMBL1379376

Cc1cscc1-c1cc(N)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.61
CASP1 P29466 4/20 0.50
TSHR P16473 1/20 0.50
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
CYP2A6 P11509 5/20 0.42
CYP2B6 P20813 3/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALOX15 P16050 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
THRB P10828 2/20 0.41
CASP7 P55210 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
APP P05067 1/20 0.41

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
Hydrochloric Acid SCHEMBL6291520 0.98 PDE10A (0.59) PDE10ACASP1TSHRESR1ESR2
SCHEMBL5704776 0.89 CASP1 (0.55) PDE10ACASP1TSHRESR1ESR2
Hydrochloric Acid SCHEMBL5705108 0.87 CASP1 (0.53) PDE10ACASP1TSHRESR1ESR2
SCHEMBL7462631 0.82 CASP1 (0.45) PDE10ACASP1TSHRESR1ESR2
Ethane SCHEMBL28807032 0.81 PDE10A (0.65) PDE10ACASP1TSHRESR2CA1
SCHEMBL30880219 0.81 PDE10A (0.64) PDE10ACASP1TSHRESR2CA1
SCHEMBL29518540 0.81 PDE10A (0.64) PDE10ACASP1TSHRESR2CA1
SCHEMBL9402506 0.81 PDE10A (0.64) PDE10ACASP1TSHRESR2CA1
SCHEMBL1377656 0.79 CA1 (0.53) PDE10ACASP1TSHRESR1ESR2
SCHEMBL6572250 0.78 PDE10A (0.61) PDE10ACASP1TSHRCA1CA2

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 PDE10A 1900/4885CASP1 2483/4885TSHR 1892/4885

“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.