SCHEMBL2758626

SCHEMBL2758626

Cc1ccc2cc(C(=O)CN)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 4/20 0.55
▸ CYP1A2 P05177 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ PTPN1 P18031 1/20 0.44
▸ CTNNB1 P35222 3/20 0.43
▸ WNT3A P56704 3/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ PLAU P00749 1/20 0.41
▸ KDM2B Q8NHM5 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
SCHEMBL13422352 0.85 CYP2A6 (0.58) CYP2A6CYP1A2SMN1; SMN2KDM4EHPGD
SCHEMBL28482006 0.84 CYP2A6 (0.58) CYP2A6CYP1A2SMN1; SMN2KDM4EHPGD
SCHEMBL30253453 0.83 CYP2A6 (0.56) CYP2A6CYP1A2SMN1; SMN2KDM4EHPGD
SCHEMBL10456611 0.83 CYP2A6 (0.56) CYP2A6CYP1A2SMN1; SMN2KDM4EHPGD
SCHEMBL2758624 0.81 PTPN1 (0.68) CYP2A6CYP1A2SMN1; SMN2KDM4EHPGD
SCHEMBL12520194 0.81 CYP2A6 (0.59) CYP2A6CYP1A2SMN1; SMN2KDM4EHPGD
SCHEMBL5899479 0.81 PTPN1 (0.67) SMN1; SMN2KDM4EHPGDPTPN1NPC1
SCHEMBL9244584 0.80 CYP2A6 (0.53) CYP2A6CYP1A2SMN1; SMN2KDM4EHPGD
SCHEMBL4385605 0.80 GSK3B (0.61) SMN1; SMN2HPGDNPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL29393701 0.79 PTPN1 (0.65) SMN1; SMN2KDM4EHPGDPTPN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11674966-B2 Kit and method for measuring measurement target substance in biological sample FUJIFILM CORPORATION (JP) 2023-06-13 — — US disclosed
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-20120004397-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE Life Technologies Corporation (US) 2012-01-05 — — 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 (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-20130273569-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE KLK3, ALDH1A2, SPR CYP2A6 1624/4885CYP1A2 1143/4885SMN1; SMN2 4284/4885
US-11674966-B2 Kit and method for measuring measurement target substance in biological sample KIT, TACR2, TACR1 CYP2A6 1878/4885CYP1A2 2002/4885SMN1; SMN2 3640/4885
US-20120004397-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE KLK3, ALDH1A2, SPR CYP2A6 1624/4885CYP1A2 1143/4885SMN1; SMN2 4284/4885

“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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