SCHEMBL6288679

SCHEMBL6288679

O=[N+]([O-])c1ccc(O)c(-c2ccsc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
GPR35 Q9HC97 2/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
PELI1 Q96FA3 2/20 0.48
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX12 P18054 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
ERN1 O75460 3/20 0.45
RET P07949 1/20 0.44
RORC P51449 1/20 0.43
TMIGD3 P0DMS9 1/20 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
SCHEMBL10603975 0.83 ALDH1A1 (0.67) TDP1GPR35ALDH1A1SMN1; SMN2TP53
SCHEMBL11309698 0.83 ALDH1A1 (0.67) TDP1GPR35ALDH1A1SMN1; SMN2TP53
SCHEMBL7464277 0.81 ALDH1A1 (0.49) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9701536 0.80 GPR35 (0.58) TDP1GPR35ALDH1A1SMN1; SMN2TP53
Ethane SCHEMBL28201792 0.79 ALDH1A1 (0.62) TDP1GPR35ALDH1A1SMN1; SMN2TP53
SCHEMBL34474325 0.79 MAPT (0.48) TDP1ALDH1A1SMN1; SMN2MAPK1PELI1
SCHEMBL31167616 0.77 MEN1 (0.59) TDP1GPR35ALDH1A1SMN1; SMN2TP53
SCHEMBL536487 0.77 MEN1 (0.59) TDP1GPR35ALDH1A1SMN1; SMN2TP53
Water SCHEMBL28144477 0.76 MEN1 (0.58) TDP1GPR35ALDH1A1SMN1; SMN2TP53
SCHEMBL24726553 0.74 APP (0.52) ALDH1A1MAPK1GAAKDM4EERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6840965-B2 P-aminophenols and colorants containing said compounds WELLA AKTIENGESELLSCHAFT (DE) 2005-01-11 US 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 TDP1 2983/4885GPR35 2547/4885ALDH1A1 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.