SCHEMBL3334201

SCHEMBL3334201

Nc1ccc(Cl)cc1NC(=O)C1CC1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.67
HDAC2 Q92769 15/20 0.67
KMT2A Q03164 2/20 0.63
HDAC3 O15379 12/20 0.56
NPC1 O15118 1/20 0.50
RAB9A P51151 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
SCHEMBL29721874 0.82 KMT2A (0.65) KMT2ANPC1RAB9A
SCHEMBL28734357 0.82 KMT2A (0.65) KMT2ANPC1RAB9A
SCHEMBL13833371 0.81 HDAC1 (1.00) HDAC1HDAC2HDAC3
SCHEMBL3711806 0.80 RAB9A (0.73) KMT2ANPC1RAB9A
SCHEMBL29964652 0.79 TSHR (0.65) KMT2ARAB9A
SCHEMBL29964657 0.79 TSHR (0.65) KMT2ARAB9A
SCHEMBL2595484 0.79 HDAC2 (0.55) HDAC1HDAC2KMT2AHDAC3
SCHEMBL19575701 0.78 NPC1 (0.52) HDAC1HDAC2KMT2AHDAC3NPC1
Bicarbonate SCHEMBL19664773 0.77 RAB9A (0.69) KMT2ANPC1RAB9A
SCHEMBL15765838 0.77 ALDH1A1 (0.71) KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144732-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. 2010-06-10 US disclosed
US-20100144732-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. 2010-06-10 US disclosed
US-20100144732-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. 2010-06-10 US disclosed
CN-101563327-A Pyrimidine kinase inhibitors GENENTECH INC (US) 2009-10-21 CN disclosed
EP-2099771-A1 PYRIMIDINE KINASE INHIBITORS Genentech, Inc. (US) 2009-09-16 EP disclosed
WO-2008079719-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. (US) 2008-07-03 WO disclosed
WO-2008079719-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. (US) 2008-07-03 WO 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-20100144732-A1 PYRIMIDINE KINASE INHIBITORS DTYMK, DCK, TYMP HDAC1 1855/4885HDAC2 1861/4885KMT2A 900/4885

“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.