SCHEMBL13658605

SCHEMBL13658605

COc1ccc(-c2nc(SC)nc(SC)n2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.51
▸ LMNA P02545 1/20 0.51
▸ ADORA3 P0DMS8 6/20 0.49
▸ CYP1A1 P04798 4/20 0.48
▸ CYP1B1 Q16678 4/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2E1 P05181 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C8 P10632 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2A6 P11509 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP4B1 P13584 1/20 0.47
▸ CYP2B6 P20813 1/20 0.47
▸ CYP3A5 P20815 1/20 0.47
▸ CYP2A7 P20853 1/20 0.47
▸ CYP3A7 P24462 1/20 0.47
▸ CYP2F1 P24903 1/20 0.47
▸ CYP2C18 P33260 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47

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
SCHEMBL13658604 0.97 ALDH1A1 (0.51) ALDH1A1LMNAADORA3CYP1A1CYP1B1
SCHEMBL6678654 0.84 CYP1A1 (0.58) ALDH1A1LMNAADORA3CYP1A1CYP1B1
SCHEMBL12810983 0.84 NPC1 (0.62) ALDH1A1CYP3A4CRHR1NPC1RAB9A
SCHEMBL8767871 0.81 NPC1 (0.62) ALDH1A1CYP3A4CRHR1NPC1RAB9A
SCHEMBL30174369 0.81 NPC1 (0.62) ALDH1A1CYP3A4CRHR1NPC1RAB9A
SCHEMBL10486300 0.77 NPC1 (0.71) ALDH1A1ADORA3CYP1A1CYP1B1CYP1A2
SCHEMBL6681453 0.77 NPC1 (0.66) ALDH1A1ADORA3CYP1A1CYP1B1CYP1A2
SCHEMBL8378539 0.77 NPC1 (0.66) ALDH1A1ADORA3CYP1A1CYP1B1CYP1A2
SCHEMBL18900675 0.74 KDM4E (0.68) ALDH1A1LMNAADORA3CYP1A1CYP1B1
SCHEMBL196689 0.74 CYP1A1 (0.69) ALDH1A1LMNACYP1A1CYP1B1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090263655-A1 DYE MIXTURES HUNTSMAN INTERNATIONAL LLC (US) 2009-10-22 — — US disclosed
US-7527656-B2 Process for the thermal and photochemical stabilization of dyed polyamide fiber material HUNTSMAN INTERNATIONAL LLC (US) 2009-05-05 — — US disclosed
US-20070011822-A1 treating polyhexamethylene adipamide fiber material (carpets), before, during or after a dyeing or printing in an aqueous medium, with a stabilizer mixture containing a triazine compound such as dithio-1,3,5-triazines or thio-1,3,5-triazine compounds; colorfastness, phostability, oxidation resistance HUNTSMAN INTERNATIONAL LLC 2007-01-18 — — 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 (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-20070011822-A1 treating polyhexamethylene adipamide fiber material (carpets), before, during or after a dyeing or printing in an aqueous medium, with a stabilizer mixture containing a triazine compound such as dithio-1,3,5-triazines or thio-1,3,5-triazine compounds; colorfastness, phostability, oxidation resistance TAAR5, TMT1A, TAAR1 ALDH1A1 496/4885LMNA 3041/4885ADORA3 348/4885

“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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