Sugi Predict

Sugi Predict / Compounds / SCHEMBL2681312

SCHEMBL2681312

SCHEMBL2681312

Cc1ccc(N=Nc2ccc(N(C)C)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.71
▸ TSHR P16473 5/20 0.71
▸ MAPK1 P28482 4/20 0.68
▸ TDP1 Q9NUW8 3/20 0.68
▸ HSD17B10 Q99714 3/20 0.68
▸ NPC1 O15118 7/20 0.66
▸ RAB9A P51151 6/20 0.66
▸ KMT2A Q03164 5/20 0.66
▸ MEN1 O00255 4/20 0.66
▸ NSD2 O96028 1/20 0.66
▸ CASP3 P42574 1/20 0.66
▸ SENP8 Q96LD8 1/20 0.66
▸ SENP7 Q9BQF6 1/20 0.66
▸ SENP6 Q9GZR1 1/20 0.66
▸ POLB P06746 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ CA12 O43570 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ CA9 Q16790 1/20 0.55

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
SCHEMBL3499405 1.00 ALDH1A1 (0.71) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL14866759 1.00 ALDH1A1 (0.71) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL18806561 1.00 ALDH1A1 (0.71) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL17278967 0.94 ALDH1A1 (0.62) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL3217829 0.90 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL3217836 0.90 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL1405466 0.90 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL1405467 0.90 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL3217840 0.90 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1TDP1HSD17B10
Fluoride Ion SCHEMBL3700549 0.85 ALDH1A1 (0.88) ALDH1A1TSHRMAPK1TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006060654-A2 PESTICIDAL COMPOSITIONS AND METHODS DIVERGENCE, INC. (US) 2006-06-08 — — WO claimed
US-20050203067-A1 Pesticidal compositions and methods DIVERGENCE, INC. 2005-09-15 — — US claimed
US-5371122-A Resolution, colorant dispersed without aggregation MITSUBOSHI BELTING LTD. (JP) 1994-12-06 — — US claimed
US-9932300-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-03 — — US disclosed
US-20160369237-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY ADVANCED CELL TECH INC (US) 2016-12-22 — — US disclosed
US-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-11-03 — — US disclosed
US-9458142-B2 Substituted quinones or analogues as colouring agents MERCK PATENT GMBH (DE) 2016-10-04 — — US disclosed
US-9421211-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-08-23 — — US disclosed
US-9334373-B2 Fire retardant materials and devices including same THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2016-05-10 — — US disclosed
US-20150315177-A1 SUBSTITUTED QUINONES OR ANALOGUES AS COLOURING AGENTS MERCK PATENT GMBH (DE) 2015-11-05 — — US disclosed
US-8865891-B2 Optically-detectable enzyme substrates and their method of use Life Technologies Corporation (US) 2014-10-21 — — US disclosed
US-20080070303-A1 Using myocardial and/or muscle progenitor cells as modeling tool in tissue engineering; regenerative medicine and organ replacement ADVANCED CELL TECHNOLOGY 2008-03-20 — — US disclosed
US-7169925-B2 Indole derivatives as interleukin-4 gene expression inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-01-30 — — US disclosed
US-7169925-B2 Indole derivatives as interleukin-4 gene expression inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-01-30 — — US disclosed
WO-2006135602-A2 HERPES VIRUS-BASED COMPOSITIONS AND METHODS OF USE IN THE PRENATAL AND PERINATAL PERIODS UNIVERSITY OF ROCHESTER (US) 2006-12-21 — — WO disclosed
WO-2006060654-A2 PESTICIDAL COMPOSITIONS AND METHODS DIVERGENCE, INC. (US) 2006-06-08 — — WO disclosed
US-7022331-B2 Thermochromic/photochromic cosmetic compositions Theisen, Lyle (US) 2006-04-04 — — US disclosed
US-20050203067-A1 Pesticidal compositions and methods DIVERGENCE, INC. 2005-09-15 — — US disclosed
US-20020192247-A1 Thermochromic/photochromic cosmetic compositions THEISEN LYLE (US) 2002-12-19 — — US disclosed
US-5371122-A Resolution, colorant dispersed without aggregation MITSUBOSHI BELTING LTD. (JP) 1994-12-06 — — US 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 (3 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-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation NSUN2, EIF2AK2, RNGTT ALDH1A1 3464/4885TSHR 4506/4885MAPK1 2028/4885
US-20150315177-A1 SUBSTITUTED QUINONES OR ANALOGUES AS COLOURING AGENTS KRT18, IK, SDHA ALDH1A1 264/4885TSHR 4746/4885MAPK1 761/4885
US-20050203067-A1 Pesticidal compositions and methods ACHE, DDT, PTMS ALDH1A1 3205/4885TSHR 2997/4885MAPK1 4785/4885

“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.

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