SCHEMBL4153015

SCHEMBL4153015

Cc1cccc(-c2nc(C)c(C)s2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
ADORA3 P0DMS8 1/20 0.49
RAB9A P51151 2/20 0.44
MAPT P10636 5/20 0.44
LMNA P02545 3/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.42
FFAR1 O14842 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL27283953 0.84 SMN1; SMN2 (0.47) KMT2AALDH1A1MEN1RAB9AMAPT
SCHEMBL1091789 0.82 ALDH1A1 (0.55) KMT2AALDH1A1MEN1RAB9AMAPT
SCHEMBL2094527 0.82 DCK (0.53) ADORA3LMNATRPM8
SCHEMBL2089024 0.82 KMT2A (0.64) KMT2AADORA3RAB9ATRPM8POLB
SCHEMBL13801071 0.81 ADORA3 (0.59) KMT2AALDH1A1MEN1ADORA3RAB9A
SCHEMBL427731 0.80 SMN1; SMN2 (0.59) KMT2AALDH1A1RAB9AMAPTLMNA
SCHEMBL2097530 0.80 HAO1 (0.45) KMT2AALDH1A1MAPTTRPM8SMN1; SMN2
Hydrochloric Acid SCHEMBL3265116 0.79 SMN1; SMN2 (0.58) KMT2AALDH1A1RAB9AMAPTLMNA
SCHEMBL23092862 0.78 BRD4 (0.49) KMT2AALDH1A1RAB9AMAPTLMNA
SCHEMBL12876901 0.78 DCK (0.47) KMT2AALDH1A1MEN1ADORA3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952207-B2 Copper-catalyzed C—H bond arylation THE UNIVERSITY OF HOUSTON SYSTEM (US) 2015-02-10 US disclosed
US-8952207-B2 Copper-catalyzed C—H bond arylation THE UNIVERSITY OF HOUSTON SYSTEM (US) 2015-02-10 US disclosed
US-8952207-B2 Copper-catalyzed C—H bond arylation THE UNIVERSITY OF HOUSTON SYSTEM (US) 2015-02-10 US disclosed
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-03-19 US disclosed
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-03-19 US disclosed
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-03-19 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-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION AOC2, AOC3, DBH KMT2A 2525/4885ALDH1A1 44/4885MEN1 3558/4885

“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.