SCHEMBL3936366

SCHEMBL3936366

O=C(Nc1cccc2[nH]nnc12)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.54
PSMB8 P28062 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
PARP14 Q460N5 1/20 0.48
POLB P06746 2/20 0.47
HPGD P15428 2/20 0.47
MDM4 O15151 1/20 0.47
TP53 P04637 1/20 0.47
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
MAOB P27338 2/20 0.46
ADORA2A P29274 2/20 0.46

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
SCHEMBL27699226 0.99 KDR (0.52) KDRPSMB8NPC1RAB9ACYP1A2
SCHEMBL6933152 0.86 GAA (0.50) KDRPSMB8NPC1RAB9APOLB
SCHEMBL24863091 0.86 HTT (0.46) KDRPOLBHTTSMN1; SMN2ALDH1A1
SCHEMBL19977100 0.84 SMN1; SMN2 (0.43) KDRPSMB8NPC1RAB9AHDAC1
SCHEMBL28435031 0.83 GAA (0.45) CYP1A2CYP3A4POLBALDH1A1PARP1
SCHEMBL30776547 0.83 GAA (0.45) CYP1A2CYP3A4POLBALDH1A1PARP1
SCHEMBL3020104 0.83 KDR (0.60) KDRNPC1RAB9ACYP2D6CYP2C9
SCHEMBL3007286 0.83 KDR (0.60) KDRNPC1RAB9ACYP2D6CYP2C9
SCHEMBL29791629 0.83 MEN1 (0.41) NPC1RAB9APOLBTP53MAPK1
SCHEMBL1757402 0.80 HTT (0.33) KDRNPC1RAB9ACYP1A2CYP3A4

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-2046279-B1 Use of aminophenylbenzotriazole derivatives for protecting human and animal skin and hair from the harmful effects of uv radiation and cosmetic compositions thereof BASF SE (DE) 2014-05-14 EP disclosed
US-8221729-B2 Use of aminophenylbenzotriazole derivatives for protecting human and animal skin and hair from the harmful effects of UV radiation and cosmetic compositions thereof BASF SE (DE) 2012-07-17 US disclosed
US-20090246154-A1 USE OF AMINOPHENYLBENZOTRIAZOLE DERIVATIVES FOR PROTECTING HUMAN AND ANIMAL SKIN AND HAIR FROM THE HARMFUL EFFECTS OF UV RADIATION AND COSMETIC COMPOSITIONS THEREOF BASF SE (DE) 2009-10-01 US disclosed
EP-2046279-A1 USE OF AMINOPHENYLBENZOTRIAZOLE DERIVATIVES FOR PROTECTING HUMAN AND ANIMAL SKIN AND HAIR FROM THE HARMFUL EFFECTS OF UV RADIATION AND COSMETIC COMPOSITIONS THEREOF Ciba Holding Inc. (CH) 2009-04-15 EP disclosed
WO-2008012304-A1 USE OF AMINOPHENYLBENZOTRIAZOLE DERIVATIVES FOR PROTECTING HUMAN AND ANIMAL SKIN AND HAIR FROM THE HARMFUL EFFECTS OF UV RADIATION AND COSMETIC COMPOSITIONS THEREOF CIBA HOLDING INC. (CH) 2008-01-31 WO disclosed
WO-2001012150-A1 COSMETIC COMPOSITIONS WITH THERMOCHROMIC COLOR CHANGE SUBSTANCES AND AN AGENT FOR INDUCING A TEMPERATURE CHANGE UNILEVER PLC (GB) 2001-02-22 WO disclosed
WO-2001012149-A1 COSMETIC STRIPS WITH TEMPERATURE DEPENDENT COLOUR CHANGE UNILEVER PLC (GB) 2001-02-22 WO disclosed
US-4865648-A ELECTRON DONOR DYE; ESTER; PHENOL, CARBOXY ACID, PHOSPHATE ESTER, TRIAZOLE KITO TSUTOMU (JP) 1989-09-12 US disclosed
US-4732810-A CONTAINING ESTERS WITH SPECIFIC MELTING POINT-CLOUD POINT VALVE; LOW HYSTERESIS PILOT INK CO., LTD. (JP) 1988-03-22 US disclosed
US-4720301-A Reversible heat sensitive recording composition PILOT INK CO., LTD. (JP) 1988-01-19 US disclosed
US-4717710-A CHROMOGEN, TRIAZOLE, AZOMETHINE OR CARBOXYLIC ACID AMINE SALT, AND AN ALCOHOL, AMIDE OR ESTER SOLVENT MATSUI SHIKISO CHEMICAL CO. LTD. (JP) 1988-01-05 US disclosed
EP-0188635-A1 Thermochromic composition MATSUI SHIKISO CHEMICAL CO., LTD (JP) 1986-07-30 EP 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-20090246154-A1 USE OF AMINOPHENYLBENZOTRIAZOLE DERIVATIVES FOR PROTECTING HUMAN AND ANIMAL SKIN AND HAIR FROM THE HARMFUL EFFECTS OF UV RADIATION AND COSMETIC COMPOSITIONS THEREOF C9, C5, C3AR1 KDR 3653/4885PSMB8 1441/4885NPC1 3087/4885

“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.