SCHEMBL4962801

SCHEMBL4962801

C[C@H](O)CNCc1cn(Cc2ccc(F)cc2)c2cnc3c(=O)n(O)ccc3c12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 2/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP19A1 P11511 2/20 0.33
FSCN1 Q16658 1/20 0.33
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GRIN2B Q13224 1/20 0.32
CNR2 P34972 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL4965499 0.92 KDM4E (0.33) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL3495823 0.88 MCHR1 (0.36) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL14302885 0.88 ALDH1A1 (0.37) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL14303283 0.88 KDM4E (0.36) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL4964868 0.85 CYP19A1 (0.39) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL4964875 0.84 KDM4E (0.33) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL14395082 0.84 MDM4 (0.34) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL3495244 0.84 SCD (0.38) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL3498272 0.84 NPC1 (0.40) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5223852 0.84 ALDH1A1 (0.41) KDM4EALDH1A1KMT2ASMN1; SMN2CNR2

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 5 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
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
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

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 KDM4E 821/4885ALDH1A1 437/4885POLB 34/4885

“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.