SCHEMBL10248170

SCHEMBL10248170

Cc1ccc([C@H](C)NC2=NC(=O)C(C(C)C)S2)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.36
BRD4 O60885 3/20 0.33
LMNA P02545 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HDAC1 Q13547 1/20 0.32
GPR139 Q6DWJ6 5/20 0.32
OPRK1 P41145 1/20 0.32
PFKFB3 Q16875 1/20 0.31
POLB P06746 1/20 0.31
TRPV1 Q8NER1 2/20 0.30

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
SCHEMBL10249378 1.00 IDH1 (0.36) IDH1BRD4LMNATAAR1HDAC1
SCHEMBL14429779 1.00 IDH1 (0.36) IDH1BRD4LMNATAAR1HDAC1
SCHEMBL14429777 1.00 IDH1 (0.36) IDH1BRD4LMNATAAR1HDAC1
SCHEMBL10249354 1.00 IDH1 (0.36) IDH1BRD4LMNATAAR1HDAC1
SCHEMBL1606487 0.87 MAPKAPK2 (0.41) IDH1
SCHEMBL14429454 0.87 IDH1 (0.37) IDH1LMNAPOLB
SCHEMBL1606410 0.87 MAPKAPK2 (0.41) IDH1
SCHEMBL1605418 0.87 TAAR1 (0.46) IDH1LMNATAAR1HDAC1POLB
SCHEMBL1605556 0.87 TAAR1 (0.46) IDH1LMNATAAR1HDAC1POLB
SCHEMBL5454033 0.84 IDH1 (0.40) IDH1GPR139TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010256-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB 2012-01-12 US disclosed
US-20110082107-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC. 2011-04-07 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-20110082107-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD3B1, HSD17B1 IDH1 188/4885BRD4 3543/4885LMNA 1410/4885
US-20120010256-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD3B1, HSD17B1 IDH1 188/4885BRD4 3543/4885LMNA 1410/4885

“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.