SCHEMBL13010754

SCHEMBL13010754

CC(C)(C)c1ccc(-c2ccc(Cl)nc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.42
CYP2A6 P11509 1/20 0.40
NOTUM Q6P988 1/20 0.37
KIF11 P52732 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
DGAT1 O75907 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
TRPV3 Q8NET8 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
KDM1A O60341 1/20 0.34
MAOB P27338 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
SCHEMBL29909266 0.85 POLB (0.40) PIK3CDCYP2A6KIF11RAB9ADGAT1
SCHEMBL77078 0.85 POLB (0.40) PIK3CDCYP2A6KIF11RAB9ADGAT1
SCHEMBL11168653 0.82 PIK3CD (0.52) PIK3CDCYP2A6NOTUMKIF11NPC1
SCHEMBL12173603 0.81 KIF11 (0.48) KIF11NPC1RAB9ADGAT1ALDH1A1
SCHEMBL22002106 0.81 ALOX5AP (0.39) PIK3CDCYP2A6KIF11DGAT1ALDH1A1
SCHEMBL14327692 0.81 ALOX5AP (0.39) PIK3CDCYP2A6KIF11DGAT1ALDH1A1
SCHEMBL14848474 0.81 SLC22A12 (0.40) CYP2A6KIF11NPC1RAB9ADGAT1
SCHEMBL14062459 0.80 KIF11 (0.52) KIF11NPC1RAB9ADGAT1ALDH1A1
SCHEMBL14848446 0.79 JAK2 (0.42) CYP2A6KIF11NPC1
SCHEMBL10202995 0.79 PIK3CD (0.48) PIK3CDKIF11NPC1RAB9ADGAT1

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-9018220-B2 Mesoionic pesticides E I DU PONT DE NEMOURS AND COMPANY (US) 2015-04-28 US disclosed
US-8552007-B2 Mesoionic pesticides E.I. DU PONT DE NEMOURS AND COMPANY (US) 2013-10-08 US disclosed
US-20100323887-A1 MESOIONIC PESTICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-23 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-20100323887-A1 MESOIONIC PESTICIDES DDT, CHRM1, CHRM3 PIK3CD 2585/4885CYP2A6 1009/4885NOTUM 682/4885

“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.