SCHEMBL2039906

SCHEMBL2039906

O=C(c1cn2c3c(cccc13)OCC2)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
MCL1 Q07820 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.39
LIPG Q9Y5X9 3/20 0.38
IDO1 P14902 1/20 0.38
AHR P35869 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
PARP1 P09874 3/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
PIK3CA P42336 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.35
NOTUM Q6P988 1/20 0.34

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
SCHEMBL2039785 0.83 MCL1 (0.52) MCL1KDM4ELIPGEGLN1PARP1
SCHEMBL2183758 0.77 MCL1 (0.49) LMNAMCL1KDM4EEGLN1
SCHEMBL30023562 0.77 MCL1 (0.46) MCL1EGLN1PARP1HTR2AHTR2C
SCHEMBL27189523 0.77 MCL1 (0.46) MCL1EGLN1PARP1HTR2AHTR2C
SCHEMBL29477132 0.77 CNR1 (0.48) LMNAMAPK1
SCHEMBL6786479 0.76 MCL1 (0.42) MCL1AHREGLN1PARP1HTR2A
SCHEMBL7258425 0.76 MCL1 (0.42) MCL1EGLN1PARP1MEN1KMT2A
SCHEMBL17553502 0.71 MCL1 (0.47) MCL1LIPGEGLN1PARP1HTR2A
SCHEMBL12642948 0.71 PARP1 (0.50) LMNAMCL1KDM4ELIPGEGLN1
SCHEMBL6838299 0.70 MEN1 (0.43) MCL1MEN1KMT2A

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-2516419-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-10-31 EP disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 WO disclosed
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 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-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 LMNA 1975/4885MCL1 4509/4885HTT 1251/4885

“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.