SCHEMBL6572324

SCHEMBL6572324

Nc1ccc(N)c(-c2cc(N)ccc2O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.54
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ALOX15 P16050 7/20 0.43
HSD17B10 Q99714 7/20 0.43
ALDH1A1 P00352 5/20 0.43
CASP1 P29466 4/20 0.43
THRB P10828 4/20 0.43
CYP3A4 P08684 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
RECQL P46063 3/20 0.43
HPGD P15428 3/20 0.43
CASP7 P55210 2/20 0.43
TNF P01375 1/20 0.43
HSPD1 P10809 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 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
SCHEMBL6778248 0.92 NPC1 (0.47) PDE10ACA1CA2ALOX15HSD17B10
SCHEMBL6572699 0.92 NPC1 (0.47) PDE10ACA1CA2ALOX15HSD17B10
SCHEMBL29518540 0.90 PDE10A (0.64) PDE10ACA1CA2ALOX15HSD17B10
SCHEMBL30880219 0.90 PDE10A (0.64) PDE10ACA1CA2ALOX15HSD17B10
SCHEMBL9402506 0.90 PDE10A (0.64) PDE10ACA1CA2ALOX15HSD17B10
SCHEMBL5688007 0.86 TSHR (0.48) PDE10ACA1CA2ALOX15HSD17B10
Ethane SCHEMBL28807032 0.85 PDE10A (0.65) PDE10ACA1CA2ALOX15HSD17B10
SCHEMBL6573277 0.85 SMN1; SMN2 (0.45) PDE10AALOX15HSD17B10ALDH1A1CASP1
SCHEMBL3786791 0.85 ALDH1A1 (0.54) PDE10ACA1CA2ALOX15HSD17B10
SCHEMBL3338155 0.84 CASP1 (0.46) PDE10AALOX15HSD17B10ALDH1A1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP claimed
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
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed
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-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US 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
US-6420385-B1 INFLAMMATORY, PAIN AND DIABETES DISEASES, AMGEN INC. 2002-07-16 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
EP-1051143-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 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 4026/4885CA1 4611/4885CA2 2993/4885

“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.