SCHEMBL10249069

SCHEMBL10249069

CC[S+]([O-])c1cnccc1-c1nc2cc(C)ccc2n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ AGPAT2 O15120 1/20 0.38
▸ NLRP3 Q96P20 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.35
▸ CASP1 P29466 1/20 0.34
▸ ACSS2 Q9NR19 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RPS6KA5 O75582 1/20 0.34

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
SCHEMBL10249065 0.87 SMN1; SMN2 (0.43) SMN1; SMN2POLBKDM4ENPC1RAB9A
SCHEMBL167348 0.86 PDE10A (0.40) SMN1; SMN2POLBKDM4ENPC1RAB9A
SCHEMBL15426340 0.84 NLRP3 (0.44) KDM4ENPC1RAB9AMAPTHSD17B10
SCHEMBL10248923 0.84 CYP11B2 (0.47) RPS6KA5
SCHEMBL10249039 0.83 PDE10A (0.35) SMN1; SMN2POLBKDM4ENPC1RAB9A
SCHEMBL15275089 0.81 KDM4E (0.37) SMN1; SMN2KDM4ENPC1RAB9AMAPT
SCHEMBL10248880 0.79 SMN1; SMN2 (0.45) SMN1; SMN2POLBKDM4ENPC1RAB9A
SCHEMBL15426448 0.79 PIK3CA (0.41) KDM4EHSD17B10AGPAT2NLRP3TLR8
SCHEMBL4399013 0.79 SMN1; SMN2 (0.49) SMN1; SMN2POLBKDM4ENPC1RAB9A
SCHEMBL15868327 0.77 NPC1 (0.40) KDM4ENPC1RAB9AMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 — — US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 — — US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 — — US disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 — — 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 (2 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-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 SMN1; SMN2 1524/4885POLB 4724/4885KDM4E 3947/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 SMN1; SMN2 1524/4885POLB 4724/4885KDM4E 3947/4885

“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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