SCHEMBL6572402

SCHEMBL6572402

CSc1ccc(-c2cc(N)ccc2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.47
BACE1 P56817 2/20 0.41
MCL1 Q07820 1/20 0.40
CASP1 P29466 3/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TSHR P16473 1/20 0.38
PTGS2 P35354 2/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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 SCHEMBL6780309 0.98 PDE10A (0.46) PDE10ABACE1MCL1CASP1CA1
SCHEMBL5688138 0.87 TSHR (0.44) PDE10AMCL1CASP1CA1CA2
SCHEMBL6572611 0.83 PDE10A (0.44) PDE10ABACE1MCL1CASP1CA1
SCHEMBL3789852 0.82 PDE10A (0.54) PDE10ABACE1MCL1CASP1CA1
SCHEMBL6572501 0.81 APP (0.37) CASP1TSHRPTGS2MEN1KMT2A
Hydrochloric Acid SCHEMBL6787402 0.81 PDE10A (0.52) PDE10ABACE1CASP1CA1CA2
SCHEMBL6029104 0.79 BACE1 (0.62) PDE10ABACE1MCL1CASP1CA1
SCHEMBL6574009 0.79 USP7 (0.50) PDE10ABACE1CASP1CA1CA2
SCHEMBL9203397 0.78 PELI1 (0.46) BACE1MCL1PTGS2
Hydrochloric Acid SCHEMBL6781665 0.78 BACE1 (0.60) PDE10ABACE1MCL1CASP1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1208077-B1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-04-21 EP claimed
US-6749644-B2 DEVELOPER AND COUPLER; WIDE RANGE OF DIFFERENT COLOR SHADES FROM BLOND TO BROWN, PURPLE, VIOLET AND EVEN BLUE AND BLACK; INTENSITY WELLA AKTIENGESELLSCHAFT (DE) 2004-06-15 US disclosed
EP-1208077-B1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-04-21 EP disclosed
US-20020166180-A1 2-hydroxy-5-amino-biphenyl-derivatives and oxidative hair colouring agents containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2002-11-14 US disclosed
EP-1208077-A1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2002-05-29 EP disclosed
WO-2002002507-A1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-01-10 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-20020166180-A1 2-hydroxy-5-amino-biphenyl-derivatives and oxidative hair colouring agents containing said compounds AHR, KRT18, HMOX2 PDE10A 4026/4885BACE1 2023/4885MCL1 1758/4885

“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.