SCHEMBL1600299

SCHEMBL1600299

Cc1cc(Br)c(CN2C(=O)c3ccccc3C2=O)cc1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
TGM2 P21980 1/20 0.43
RECQL P46063 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
CYP1B1 Q16678 1/20 0.41
TYR P14679 1/20 0.40
GRM5 P41594 1/20 0.40
RPS6KA2 Q15349 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 2/20 0.40
BRD4 O60885 1/20 0.39
MAPK1 P28482 2/20 0.39
PABPC1 P11940 1/20 0.39
ALOX15 P16050 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
CASP3 P42574 1/20 0.39
CA12 O43570 1/20 0.38

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
SCHEMBL1600791 0.80 GRM5 (0.43) MAPTTGM2RECQLRXFP1CYP1B1
SCHEMBL8931780 0.78 TYR (0.46) MAPTRECQLRXFP1CYP1B1TYR
SCHEMBL1855568 0.75 RXFP1 (0.58) MAPTRECQLRXFP1RPS6KA2TSHR
SCHEMBL22179161 0.75 HPGD (0.55) MAPTCYP1B1SMN1; SMN2TSHRMAPK1
SCHEMBL31689407 0.75 HPGD (0.55) MAPTRECQLSMN1; SMN2TSHRMAPK1
SCHEMBL29820186 0.73 PTGS1 (0.65) MAPTTGM2RECQLRPS6KA2TSHR
SCHEMBL10304923 0.73 PTGS1 (0.65) MAPTTGM2RECQLRPS6KA2TSHR
SCHEMBL6095022 0.73 TYR (0.64) RECQLCYP1B1TYRGRM5SMN1; SMN2
SCHEMBL19828941 0.72 HDAC1 (0.47) CYP1B1TYRGRM5SMN1; SMN2TSHR
SCHEMBL2578279 0.72 CASP3 (0.51) TYRGRM5RPS6KA2SMN1; SMN2CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919506-B2 Dibenzyl amine compounds and derivatives PFIZER INC. (US) 2011-04-05 US disclosed
US-7919506-B2 Dibenzyl amine compounds and derivatives PFIZER INC. (US) 2011-04-05 US disclosed
US-7919506-B2 Dibenzyl amine compounds and derivatives PFIZER INC. (US) 2011-04-05 US disclosed
EP-1996564-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES Pfizer Products Incorporated (US) 2008-12-03 EP disclosed
WO-2007105050-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-09-20 WO disclosed
US-20070213371-A1 Dibenzyl Amine Compounds and Derivatives PFIZER INC 2007-09-13 US disclosed
US-20070213371-A1 Dibenzyl Amine Compounds and Derivatives PFIZER INC 2007-09-13 US disclosed
US-20070213371-A1 Dibenzyl Amine Compounds and Derivatives PFIZER INC 2007-09-13 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-20070213371-A1 Dibenzyl Amine Compounds and Derivatives APOB, LDLR, CETP MAPT 539/4885TGM2 706/4885RECQL 2579/4885

“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.