SCHEMBL5440741

SCHEMBL5440741

C=CC(Nc1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 3/20 0.38
LMNA P02545 2/20 0.38
RECQL P46063 2/20 0.38
ALOX15 P16050 2/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL30518067 0.87 KMT2A (0.49) TDP1ALDH1A1LMNACYP2C19GAA
SCHEMBL14361137 0.87 HPGD (0.44) TDP1ALDH1A1HSD17B10LMNARECQL
Hydrochloric Acid SCHEMBL9359182 0.85 KDM4E (0.36) TDP1KDM4EALDH1A1HSD17B10LMNA
SCHEMBL5328347 0.82 ALDH1A1 (0.40) TDP1KDM4EALDH1A1HSD17B10LMNA
SCHEMBL30518098 0.82 ALDH1A1 (0.61) TDP1KDM4EALDH1A1HSD17B10RECQL
SCHEMBL30518105 0.82 ALDH1A1 (0.61) TDP1KDM4EALDH1A1HSD17B10RECQL
SCHEMBL11228603 0.82 TDP1 (0.50) TDP1KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL30518106 0.82 ALDH1A1 (0.61) TDP1KDM4EALDH1A1HSD17B10RECQL
SCHEMBL29078168 0.80 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10LMNACYP3A4
SCHEMBL29078124 0.80 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0439059-B1 1-Phenylalkyl-3-phenylurea derivative MITSUBISHI CHEM IND (JP) 1994-08-24 EP claimed
EP-0439059-A2 1-Phenylalkyl-3-phenylurea derivative Mitsubishi Chemical Corporation (JP) 1991-07-31 EP claimed
WO-2017116272-A1 METHOD FOR PREPARING TERTIARY AMINES COMPRISING ETHYNYLBENZYL SUBSTITUENTS PUBLIC JOINT STOCK COMPANY "SIBUR HOLDING" (RU) 2017-07-06 WO disclosed
US-7732365-B2 Enantioselective amination and etherification YALE UNIVERSITY (US) 2010-06-08 US disclosed
US-20070259774-A1 Enantioselective Phosphoramidite Compounds and Catalysts YALE UNIVERSITY (US) 2007-11-08 US disclosed
US-20070259774-A1 Enantioselective Phosphoramidite Compounds and Catalysts YALE UNIVERSITY (US) 2007-11-08 US disclosed
US-20070259774-A1 Enantioselective Phosphoramidite Compounds and Catalysts YALE UNIVERSITY (US) 2007-11-08 US disclosed
WO-2004024684-A2 ENANTIOSELECTIVE AMINATION AND ETHERIFICATION YALE UNIVERSITY (US) 2004-03-25 WO disclosed
US-4309327-A COATINGS, PIGMENT PASTES NIPPON PAINT CO., LTD. (JP) 1982-01-05 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 (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-20070259774-A1 Enantioselective Phosphoramidite Compounds and Catalysts AKR1C3, PCNA, AKR1C4 TDP1 1807/4885KDM4E 4148/4885ALDH1A1 1120/4885

“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.