SCHEMBL4972045

SCHEMBL4972045

CC#Cc1c(C(=O)NO)ncc2c1ccn2Cc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.46
HDAC1 Q13547 12/20 0.46
HDAC8 Q9BY41 10/20 0.46
HDAC2 Q92769 10/20 0.46
HDAC3 O15379 9/20 0.46
MAOB P27338 1/20 0.42
HDAC10 Q969S8 6/20 0.38
HDAC9 Q9UKV0 5/20 0.38
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
RAB9A P51151 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
HDAC11 Q96DB2 5/20 0.36
HDAC4 P56524 5/20 0.36
HDAC7 Q8WUI4 4/20 0.36
HDAC5 Q9UQL6 4/20 0.36
NCOR2 Q9Y618 4/20 0.36

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
SCHEMBL4964809 0.88 KDM4E (0.40) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL14533493 0.84 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL4803201 0.83 HDAC3 (0.48) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL4801391 0.82 HDAC6 (0.46) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL4801027 0.79 HDAC1 (0.45) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL4966198 0.79 MAOB (0.39) MAOBCNR2CNR1
SCHEMBL4807256 0.78 HDAC1 (0.44) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL3495549 0.76 HDAC6 (0.43) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL3495556 0.76 HDAC6 (0.43) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL3493411 0.75 MAPT (0.39) MAOBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934220-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-06-25 EP disclosed
EP-1817329-A1 GEM DIFLUORINATED C-GLYCOPEPTIDES, THEIR PREPARATION AND THEIR USE FOR THE PRESERVATION OF BIOLOGICAL MATERIALS AND/OR IN CRYOSURGERY Institut National des Sciences Appliquees de Rouen (INSA) (FR) 2007-08-15 EP disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 US disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 US disclosed
WO-2007042883-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-19 WO disclosed
WO-2006059227-A1 GEM DIFLUORINATED C-GLYCOPEPTIDES, THEIR PREPARATION AND THEIR USE FOR THE PRESERVATION OF BIOLOGICAL MATERIALS AND/OR IN CRYOSURGERY INSTITUT NATIONAL DES SCIENCES APPLIQUEES DE ROUEN (INSA) (FR) 2006-06-08 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-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP HDAC6 1926/4885HDAC1 626/4885HDAC8 2180/4885

“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.