SCHEMBL1891187

SCHEMBL1891187

Cc1[nH]c2ncnc(Oc3ccccc3[N+](=O)[O-])c2c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.55
ALDH1A1 P00352 3/20 0.51
EGFR P00533 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.45
KDR P35968 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TP53 P04637 1/20 0.44
ABL1 P00519 1/20 0.43
PRKCA P17252 1/20 0.43
ABL2 P42684 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.41
NPC1 O15118 2/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.40
LCK P06239 1/20 0.40
TEK Q02763 1/20 0.40

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
SCHEMBL1891363 0.79 TRPA1 (0.62) TRPA1EGFRKDRABL1PRKCA
SCHEMBL12410639 0.79 EGFR (0.55) TRPA1ALDH1A1EGFRKDRABL1
SCHEMBL1882505 0.71 ALDH1A1 (0.58) ALDH1A1EGFRSMN1; SMN2KDRL3MBTL1
SCHEMBL8166211 0.70 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2L3MBTL1TP53TDP1
SCHEMBL12503593 0.70 EGFR (0.69) TRPA1EGFRKDRABL1PRKCA
SCHEMBL1895100 0.70 EGFR (0.62) TRPA1EGFRKDRABL1PRKCA
SCHEMBL12500775 0.68 EGFR (0.57) TRPA1EGFRKDRABL1PRKCA
SCHEMBL39472 0.68 HPGD (0.78) ALDH1A1SMN1; SMN2L3MBTL1TDP1HPGD
SCHEMBL27260167 0.68 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2L3MBTL1TDP1MAPT
SCHEMBL3915197 0.67 L3MBTL1 (0.57) SMN1; SMN2L3MBTL1TDP1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372981-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-02-12 US disclosed
US-7973160-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-05 US disclosed
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES FUNAHASHI YASUHIRO 2011-05-19 US disclosed
CN-101029022-B Process for producing nitrogen-containing aromatic ring derivative EISAI R&D MAN CO LTD 2011-01-12 CN disclosed
US-20100197911-A1 Nitrogen-Containing Aromatic Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-05 US disclosed
US-7612092-B2 Urea derivatives containing aromatic or heteroaromatic rings; 4-(3-chloro-4-(cyclopropylaminocarbonyl)aminophenoxy)-7-methoxy-6-quinolinecarboxamide; prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
EP-1506962-B1 Nitrogen-containing aromatic heterocycles EISAI R&D MAN CO LTD (JP) 2008-07-02 EP disclosed
CN-101029022-A Process for producing nitrogen-containing aromatic ring derivative EISAI R&D MAN CO LTD (JP) 2007-09-05 CN disclosed
CN-101024627-A Nitrogen-containing aromatic ring derivatives EISAI R&D MAN CO LTD (JP) 2007-08-29 CN disclosed
US-7253286-B2 Urea derivatives containing aromatic or heteroaromatic rings, useful as prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI CO., LTD (JP) 2007-08-07 US disclosed
EP-1777218-A1 Process for the preparation of 4-phenoxy quinoline derivatives Eisai R&D Management Co., Ltd. (JP) 2007-04-25 EP disclosed
CN-1308310-C Nitrogen-containing aromatic ring derivatives EISAI CO LTD (JP) 2007-04-04 CN disclosed
US-20060247259-A1 Urea derivatives containing aromatic or heteroaromatic rings; 4-(3-chloro-4-(cyclopropylaminocarbonyl)aminophenoxy)-7-methoxy-6-quinolinecarboxamide; prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-11-02 US disclosed
US-20060160832-A1 Urea derivatives containing aromatic or heteroaromatic rings; 4-(3-chloro-4-(cyclopropylaminocarbonyl)aminophenoxy)-7-methoxy-6-quinolinecarboxamide; prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-07-20 US disclosed
EP-1506962-A2 Nitrogen-containing aromatic heterocycles Eisai Co. Ltd. (JP) 2005-02-16 EP disclosed
EP-1415987-A1 NITROGENOUS AROMATIC RING COMPOUNDS Eisai Co., Ltd. (JP) 2004-05-06 EP disclosed
US-20040053908-A1 Urea derivatives containing aromatic or heteroaromatic rings, useful as prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-03-18 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 (5 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-20100197911-A1 Nitrogen-Containing Aromatic Derivatives GNG2, GCG, FRG1 TRPA1 1526/4885ALDH1A1 2194/4885EGFR 790/4885
US-20040053908-A1 Urea derivatives containing aromatic or heteroaromatic rings, useful as prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective VEGFA, UACA, UTS2R TRPA1 4173/4885ALDH1A1 1164/4885EGFR 331/4885
US-20060247259-A1 Urea derivatives containing aromatic or heteroaromatic rings; 4-(3-chloro-4-(cyclopropylaminocarbonyl)aminophenoxy)-7-methoxy-6-quinolinecarboxamide; prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective UGGT1, FLT1, GCG TRPA1 4168/4885ALDH1A1 1671/4885EGFR 586/4885
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES GNG2, GCG, FRG1 TRPA1 1421/4885ALDH1A1 2154/4885EGFR 795/4885
US-20060160832-A1 Urea derivatives containing aromatic or heteroaromatic rings; 4-(3-chloro-4-(cyclopropylaminocarbonyl)aminophenoxy)-7-methoxy-6-quinolinecarboxamide; prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective UGGT1, FLT1, GCG TRPA1 4168/4885ALDH1A1 1671/4885EGFR 586/4885

“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.