SCHEMBL21296

SCHEMBL21296

Nc1ccc(-c2ccc(N)cc2N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.50
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 3/20 0.50
TP53 P04637 2/20 0.50
CASP1 P29466 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
PRKCZ Q05513 1/20 0.39
TSHR P16473 3/20 0.39
POLB P06746 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
APP P05067 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38

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 SCHEMBL10585395 0.97 TDP1 (0.48) TDP1ALDH1A1CYP3A4TP53CASP1
Hydrochloric Acid SCHEMBL454327 0.97 TDP1 (0.48) TDP1ALDH1A1CYP3A4TP53CASP1
Hydrochloric Acid SCHEMBL6207950 0.97 TDP1 (0.48) TDP1ALDH1A1CYP3A4TP53CASP1
SCHEMBL13568294 0.87 ALDH1A1 (0.55) TDP1ALDH1A1CYP3A4TP53MEN1
SCHEMBL6011512 0.86 ALDH1A1 (0.42) TDP1ALDH1A1CYP3A4TP53CASP1
SCHEMBL692017 0.86 USP7 (0.50) ALDH1A1CYP3A4TP53CASP1MAPT
SCHEMBL6011390 0.86 ALDH1A1 (0.50) TDP1ALDH1A1CYP3A4TP53CASP1
SCHEMBL6011209 0.86 APP (0.42) TDP1ALDH1A1CYP3A4TP53CASP1
SCHEMBL6011415 0.86 ACHE (0.50) TDP1ALDH1A1CYP3A4TP53CASP1
SCHEMBL27486686 0.86 HSD17B10 (0.58) TDP1ALDH1A1CYP3A4TP53MEN1

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 598 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114280182-A HPLC-FLD detection method for homogeneous polysaccharides of radix pseudostellariae 福建省中医药科学院 2022-04-05 CN claimed
CN-114127056-A Process for preparing ridilinazoles and crystalline forms thereof 萨米特(牛津)有限公司 2022-03-01 CN claimed
CN-110041227-A It a kind of preparation of bimetallic schiff bases Mo complex and its is applied in catalyzing expoxidation of olefines 福州大学 2019-07-23 CN claimed
CN-110031530-A The method that a kind of pair of plurality of target object detects simultaneously 中国科学院烟台海岸带研究所 2019-07-19 CN claimed
CN-105699471-B A method of two kinds of substances are detected simultaneously 中国科学院烟台海岸带研究所 2019-02-26 CN claimed
CN-108484909-A A kind of fluorine graphene oxide/composite polyimide material and its preparation method and application 中国科学院福建物质结构研究所 2018-09-04 CN claimed
CN-107705336-A A kind of pathological image staining components adjusting method 北京航空航天大学 2018-02-16 CN claimed
CN-105440681-B Environment protection type high-strength high fire-retardance polysulfide sealant and preparation method thereof 上海创益中空玻璃材料有限公司 2017-09-15 CN claimed
CN-106645693-A Staining agent for staining horse radish peroxidase and preparation method of staining agent, staining composition, application and marker enzyme staining kit 舒斯云 2017-05-10 CN claimed
CN-105754431-A Exterior wall coating material capable of finishing working through one-time painting 云南佑琳生科技有限公司 2016-07-13 CN claimed
CN-102268134-A Preparation method for polyimide/graphene nanocomposite material 2011-12-07 CN claimed
CN-101078730-A Enzyme labeled chip method capable of in situ detecting multiple ordinary small molecule drugs HONGWU DU (CN) 2007-11-28 CN claimed
EP-1355619-B1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES WELLA AG (DE) 2006-12-06 EP claimed
US-7056347-B2 Coloring agents for keratin fibers containing (1,1′-biphenyl)-2,4-diamine derivatives in addition to novel (1,1′-biphenyl)-2,4-diamine-derivatives WELLA AG (DE) 2006-06-06 US claimed
EP-1355619-A1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES Wella Aktiengesellschaft (DE) 2003-10-29 EP claimed
US-20030172470-A1 Colouring agents for keratin fibres containing (1.1'-biphenyl)-2.4-diamine derivatives in addition to novel (1.1'-biphenyl)-2.4-diamine-derivatives HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-09-18 US claimed
WO-2002062307-A1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-08-15 WO claimed
US-4390596-A POLYAMINE, BIS-MALEIMIDE, FREE RADICAL CATALYST, FILLER RHONE-POULENC INDUSTRIES (FR) 1983-06-28 US claimed
US-4238591-A BIS-MALEIMIDE, SILANEDIOL OR SILOXANE RHONE-POULENC INDUSTRIES (FR) 1980-12-09 US claimed
US-4225498-A Preparation of N-substituted oligo-imides RHONE-POULENC INDUSTRIES (FR) 1980-09-30 US claimed

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-20030172470-A1 Colouring agents for keratin fibres containing (1.1'-biphenyl)-2.4-diamine derivatives in addition to novel (1.1'-biphenyl)-2.4-diamine-derivatives KRT18, DSP, DSG1 TDP1 755/4885ALDH1A1 120/4885CYP3A4 3726/4885

“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.