SCHEMBL5981963

SCHEMBL5981963

COc1ccc(N=Nc2ccc(N(C)C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.61
▸ ALDH1A1 P00352 4/20 0.61
▸ TDP1 Q9NUW8 3/20 0.61
▸ HSD17B10 Q99714 3/20 0.61
▸ TSHR P16473 2/20 0.61
▸ GSK3B P49841 2/20 0.60
▸ SLC2A1 P11166 1/20 0.60
▸ NPC1 O15118 9/20 0.56
▸ RAB9A P51151 8/20 0.56
▸ MAPT P10636 6/20 0.56
▸ KMT2A Q03164 6/20 0.56
▸ MEN1 O00255 5/20 0.56
▸ INSR P06213 2/20 0.56
▸ APP P05067 2/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ HTT P42858 1/20 0.54
▸ KDM4E B2RXH2 2/20 0.52
▸ POLB P06746 2/20 0.52
▸ TP53 P04637 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51

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
SCHEMBL5981957 1.00 MAPK1 (0.61) MAPK1ALDH1A1TDP1HSD17B10TSHR
SCHEMBL55926 0.87 SLC2A1 (0.75) MAPK1ALDH1A1TDP1HSD17B10TSHR
SCHEMBL11327801 0.85 ALDH1A1 (0.63) MAPK1ALDH1A1TDP1HSD17B10TSHR
Hydrochloric Acid SCHEMBL2872287 0.84 SLC2A1 (0.72) MAPK1ALDH1A1TDP1HSD17B10TSHR
SCHEMBL3217829 0.84 ALDH1A1 (0.81) MAPK1ALDH1A1TDP1HSD17B10TSHR
SCHEMBL3217840 0.84 ALDH1A1 (0.81) MAPK1ALDH1A1TDP1HSD17B10TSHR
SCHEMBL1405467 0.84 ALDH1A1 (0.81) MAPK1ALDH1A1TDP1HSD17B10TSHR
SCHEMBL3217836 0.84 ALDH1A1 (0.81) MAPK1ALDH1A1TDP1HSD17B10TSHR
SCHEMBL1405603 0.84 CA1 (0.65) MAPK1TDP1TSHRGSK3BNPC1
SCHEMBL1405466 0.84 ALDH1A1 (0.81) MAPK1ALDH1A1TDP1HSD17B10TSHR

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 11 patents. 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
EP-2931714-B1 SUBSTITUTED QUINONES OR ANALOGUES AS COLOURING AGENTS MERCK PATENT GMBH (DE) 2016-12-21 — — EP disclosed
WO-2014090364-A1 SUBSTITUTED QUINONES OR ANALOGUES AS COLOURING AGENTS MERCK PATENT GMBH (DE) 2014-06-19 — — WO disclosed
WO-2006060654-A2 PESTICIDAL COMPOSITIONS AND METHODS DIVERGENCE, INC. (US) 2006-06-08 — — WO disclosed
US-20050203067-A1 Pesticidal compositions and methods DIVERGENCE, INC. 2005-09-15 — — US disclosed
US-5578711-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-11-26 — — US disclosed
US-5541299-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-07-30 — — US disclosed
US-5502171-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 — — US disclosed
EP-0446731-B1 Process for the manufacture of azo dyes BAYER AG (DE) 1995-05-03 — — EP disclosed
EP-0446731-A2 Process for the manufacture of azo dyes BAYER AG (DE) 1991-09-18 — — 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-20050203067-A1 Pesticidal compositions and methods ACHE, DDT, PTMS MAPK1 4785/4885ALDH1A1 3205/4885TDP1 2337/4885

“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.

Send feedback