SCHEMBL11919933

SCHEMBL11919933

COc1ccc(-n2c(SCCNC(C)=O)nnc2-c2ccncc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ HPGD P15428 1/20 0.58
▸ TNKS2 Q9H2K2 6/20 0.56
▸ TNKS O95271 4/20 0.54
▸ MAPT P10636 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ THRB P10828 1/20 0.54
▸ CYP3A4 P08684 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ SULT2A1 Q06520 1/20 0.52
▸ NR5A1 Q13285 1/20 0.52
▸ AXIN2 Q9Y2T1 1/20 0.52
▸ MTNR1A P48039 1/20 0.51
▸ MTNR1B P49286 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51

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
SCHEMBL6192012 0.80 ALPG (0.69) ALDH1A1HPGDTNKS2TNKSMAPT
SCHEMBL6192401 0.78 ALPG (0.74) ALDH1A1HPGDTNKS2TNKSMAPT
SCHEMBL16486900 0.77 SMN1; SMN2 (0.74) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL16486439 0.77 POLB (0.80) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL11919912 0.76 TNKS2 (0.58) ALDH1A1MEN1KMT2ATNKS2TNKS
SCHEMBL6844152 0.76 ALPG (0.75) ALDH1A1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL6213562 0.76 ALPG (0.64) ALDH1A1HPGDMAPTCYP3A4CYP2C9
SCHEMBL6192004 0.76 ALPG (0.75) ALDH1A1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL6193193 0.76 CDC25A (0.74) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL6403463 0.75 CYP3A4 (0.73) ALDH1A1MEN1KMT2AHPGDTNKS2

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-8883827-B2 Azole derivatives as WTN pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2014-11-11 — — US disclosed
US-8883827-B2 Azole derivatives as WTN pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2014-11-11 — — US disclosed
US-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2012-08-16 — — US disclosed
US-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2012-08-16 — — 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-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors WNT1, AXIN2, WNT3 ALDH1A1 1296/4885MEN1 793/4885KMT2A 4257/4885

“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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