SCHEMBL4403200

SCHEMBL4403200

CCOC(=O)c1c(CCl)nc(C)c(C)c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.49
▸ KDM4E B2RXH2 5/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ TSHR P16473 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ CDC7 O00311 1/20 0.44
▸ DBF4 Q9UBU7 1/20 0.44
▸ DPP4 P27487 2/20 0.44
▸ DPP8 Q6V1X1 2/20 0.44
▸ DPP9 Q86TI2 1/20 0.44
▸ GABRA2 P47869 4/20 0.40
▸ GABRB2 P47870 4/20 0.40
▸ ALOX15 P16050 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ HPGD P15428 2/20 0.39

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
SCHEMBL295426 0.89 MAPT (0.48) MAPTKDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL8268871 0.88 MAPT (0.47) MAPTKDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL2703349 0.86 KDM4E (0.45) MAPTKDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL364227 0.84 KDM4E (0.49) MAPTKDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL28435242 0.78 MAPT (0.52) MAPTKDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL295215 0.78 MAPT (0.45) MAPTKDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL293957 0.77 MAPT (0.44) MAPTKDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL2704427 0.76 PLA2G2A (0.44) MAPTKDM4ESMN1; SMN2DPP4DPP8
SCHEMBL4403279 0.76 KDM4E (0.49) MAPTKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL7273936 0.76 SMN1; SMN2 (0.60) MAPTKDM4ESMN1; SMN2ALDH1A1NPC1

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
EP-1888589-B1 PYRROLOPYRIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL MYERS SQUIBB CO (US) 2012-05-09 — — EP disclosed
US-7521557-B2 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-21 — — US disclosed
US-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-11-23 — — 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-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods DPP4, DPP9, DPP3 MAPT 4195/4885KDM4E 821/4885SMN1; SMN2 4386/4885

“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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