SCHEMBL2603403

SCHEMBL2603403

COc1ccc(-c2cnc(-c3ccnc4ccccc34)o2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 2/20 0.56
BMP4 P12644 3/20 0.53
BMPR1B O00238 2/20 0.52
KDR P35968 2/20 0.52
BMPR1A P36894 2/20 0.52
ACVRL1 P37023 2/20 0.52
ACVR1 Q04771 2/20 0.52
ACVR1B P36896 1/20 0.52
TGFBR1 P36897 1/20 0.52
TGFBR2 P37173 1/20 0.52
PRKAB1 Q9Y478 1/20 0.52
PTPN1 P18031 5/20 0.47
PTPN2 P17706 2/20 0.47
PTPN6 P29350 2/20 0.47
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
MAPT P10636 3/20 0.45

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
SCHEMBL2603412 0.90 CYP11B2 (0.46) KDM4EALDH1A1SMN1; SMN2HPGDBMP4
SCHEMBL2758623 0.86 RAB9A (0.55) KDM4EALDH1A1SMN1; SMN2HPGDACVR1
SCHEMBL4875259 0.85 ALOX15 (0.56) KDM4EALDH1A1SMN1; SMN2HPGDBMP4
SCHEMBL30251801 0.81 BMP4 (0.61) KDM4EALDH1A1HPGDBMP4BMPR1B
SCHEMBL7665284 0.81 BMP4 (0.61) KDM4EALDH1A1HPGDBMP4BMPR1B
SCHEMBL2758627 0.80 NPC1 (0.44) KDM4EALDH1A1SMN1; SMN2HPGDACVR1
SCHEMBL4883102 0.78 RAB9A (0.56) KDM4EALDH1A1SMN1; SMN2HPGDKDR
SCHEMBL10909733 0.77 TSHR (0.74) KDM4EALDH1A1SMN1; SMN2HPGDKDR
SCHEMBL4875222 0.77 TSHR (0.74) KDM4EALDH1A1SMN1; SMN2HPGDKDR
SCHEMBL1180905 0.76 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2HPGDPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US claimed
US-9644099-B2 Violet laser excitable dyes and their method of use Life Technologies Corporation (US) 2017-05-09 US disclosed
US-20160355682-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE Life Technologies Corporation 2016-12-08 US disclosed
US-20150050685-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE LIFE TECHNOLOGIES CORP (US) 2015-02-19 US disclosed
US-8822695-B2 Violet laser excitable dyes and their method of use Life Technologies Corporation (US) 2014-09-02 US disclosed
US-20130273569-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE LIFE TECHNOLOGIES CORP (US) 2013-10-17 US disclosed
US-8415477-B2 Violet laser excitable dyes and their method of use Life Technologies Corporation (US) 2013-04-09 US disclosed
US-8158801-B2 Violet laser excitable dyes and their method of use Life Technologies Corporation (US) 2012-04-17 US disclosed
US-8158801-B2 Violet laser excitable dyes and their method of use Life Technologies Corporation (US) 2012-04-17 US disclosed
US-20120004397-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE Life Technologies Corporation (US) 2012-01-05 US disclosed
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US disclosed
WO-2007149395-A2 2,5-SUBSTITUTED OXAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AMPHORA DISCOVERY CORPORATION (US) 2007-12-27 WO disclosed
US-20070077549-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE INVITROGEN CORPORATION (US) 2007-04-05 US disclosed
US-20070077549-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE INVITROGEN CORPORATION (US) 2007-04-05 US disclosed
WO-2007038659-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE INVITROGEN CORPORATION (US) 2007-04-05 WO 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 (4 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-20130273569-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE KLK3, ALDH1A2, SPR KDM4E 468/4885ALDH1A1 145/4885SMN1; SMN2 4284/4885
US-20070077549-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE KLK3, ALDH1A2, SPR KDM4E 468/4885ALDH1A1 145/4885SMN1; SMN2 4284/4885
US-20120004397-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE KLK3, ALDH1A2, SPR KDM4E 468/4885ALDH1A1 145/4885SMN1; SMN2 4284/4885
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK KDM4E 2869/4885ALDH1A1 404/4885SMN1; SMN2 4756/4885

“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.