SCHEMBL13870638

SCHEMBL13870638

CNC(=O)NCc1nnc(-c2ccccc2)o1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 7/20 0.67
▸ HDAC1 Q13547 1/20 0.66
▸ HDAC2 Q92769 1/20 0.66
▸ NOTUM Q6P988 2/20 0.54
▸ ALDH1A1 P00352 3/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ GPR55 Q9Y2T6 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.52
▸ LMNA P02545 2/20 0.50
▸ KMT2A Q03164 1/20 0.50

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
SCHEMBL17790248 0.80 RAB9A (0.64) HDAC8HDAC1HDAC2NOTUMALDH1A1
Hydrochloric Acid SCHEMBL23451515 0.79 RAB9A (0.62) HDAC8HDAC1HDAC2NOTUMALDH1A1
SCHEMBL19343385 0.74 RAB9A (0.81) NOTUMALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL17788625 0.73 ALDH1A1 (0.56) HDAC8HDAC1HDAC2NOTUMALDH1A1
SCHEMBL3829426 0.72 POLB (0.58) HDAC8HDAC1HDAC2SMN1; SMN2NPC1
SCHEMBL562313 0.71 ALDH1A1 (0.62) HDAC8NOTUMALDH1A1KDM4ESMN1; SMN2
SCHEMBL1897689 0.71 HDAC8 (0.55) HDAC8HDAC1HDAC2NOTUMALDH1A1
SCHEMBL864280 0.71 CES1 (0.60) HDAC8HDAC1HDAC2SMN1; SMN2NPC1
SCHEMBL8235977 0.71 ALDH1A1 (0.67) NOTUMALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL28582160 0.71 NOTUM (1.00) HDAC8NOTUMALDH1A1KDM4ESMN1; SMN2

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-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 — — US disclosed
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 — — 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-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE REN, ROR1, RORB HDAC8 1980/4885HDAC1 1317/4885HDAC2 2490/4885

“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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