SCHEMBL5430732

SCHEMBL5430732

CC(NCc1cn(Cc2ccc(F)cc2)c2cnc3c(=O)n(O)ccc3c12)c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.40
▸ CNR1 P21554 5/20 0.40
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ VEGFA P15692 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.37
▸ PPARG P37231 3/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ PDE8A O60658 1/20 0.32
▸ PDE5A O76074 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ PDE1B Q01064 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ PDE1C Q14123 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ FNTA P49354 1/20 0.32
▸ FNTB P49356 1/20 0.32
▸ CYP19A1 P11511 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
SCHEMBL14541615 0.84 — —
SCHEMBL4964875 0.84 KDM4E (0.33) MAPTPDE1BPDE1CCYP19A1
SCHEMBL14302885 0.84 ALDH1A1 (0.37) TP53MAPTPDE1BPDE1CCYP19A1
SCHEMBL4962801 0.83 KDM4E (0.34) CNR2MAPTCYP19A1
SCHEMBL3494704 0.81 KDM4E (0.32) TP53PDE1BPDE1CCYP19A1
SCHEMBL4965499 0.81 KDM4E (0.33) PDE1BPDE1CCYP19A1
SCHEMBL4964868 0.81 CYP19A1 (0.39) CNR2TP53MAPTCYP19A1
SCHEMBL3495823 0.81 MCHR1 (0.36) TP53EGLN1PDE1BKCNH2PDE1C
SCHEMBL14303283 0.80 KDM4E (0.36) PDE1BPDE1CCYP19A1
SCHEMBL3496366 0.79 HDAC1 (0.38) TP53MAPTPDE1BPDE1CCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CNR2 4853/4885CNR1 4739/4885TP53 537/4885

“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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