SCHEMBL1380105

SCHEMBL1380105

CC(=O)c1sccc1-c1cc(N)ccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.42
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 3/20 0.39
CASP1 P29466 3/20 0.39
ALOX15 P16050 3/20 0.39
HSD17B10 Q99714 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
MEN1 O00255 2/20 0.39
THRB P10828 2/20 0.39
CASP7 P55210 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 2/20 0.39
TNF P01375 1/20 0.39
HSPD1 P10809 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.39
KDR P35968 1/20 0.39
BRCA1 P38398 1/20 0.39

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
SCHEMBL5704834 0.89 KDM4E (0.40) PDE10AKDM4EALDH1A1CASP1ALOX15
SCHEMBL7457120 0.86 MAPT (0.36) PDE10AKDM4EALDH1A1CASP1ALOX15
SCHEMBL6136914 0.77 ALDH1A1 (0.41) PDE10AKDM4EALDH1A1CASP1ALOX15
SCHEMBL1378405 0.77 PDE10A (0.52) PDE10AKDM4EALDH1A1CASP1ALOX15
SCHEMBL7456111 0.76 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AEIF4EBCAT2
SCHEMBL1381854 0.74 PDE10A (0.40) PDE10AKDM4EALDH1A1CASP1ALOX15
SCHEMBL6288457 0.73 CA1 (0.47) PDE10AKDM4EALDH1A1CASP1ALOX15
SCHEMBL1380335 0.73 KDM4E (0.43) PDE10AKDM4EALDH1A1CASP1ALOX15
Ethane SCHEMBL28807032 0.73 PDE10A (0.65) PDE10AKDM4EALDH1A1CASP1ALOX15
SCHEMBL30880219 0.73 PDE10A (0.64) PDE10AKDM4EALDH1A1CASP1ALOX15

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 1900/4885KDM4E 1805/4885ALDH1A1 105/4885

“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.