SCHEMBL16017352

SCHEMBL16017352

Cc1nc(-c2ccc(NCc3c(C)cccc3F)cc2)c(C)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
APEX1 P27695 2/20 0.38
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
STIM1 Q13586 3/20 0.36
ORAI1 Q96D31 3/20 0.36
GAA P10253 3/20 0.36
RXFP1 Q9HBX9 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
MPI P34949 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL16017301 0.94 ALDH1A1 (0.43) ALDH1A1HPGDMEN1KMT2AAPEX1
SCHEMBL14879558 0.86 MPL (0.36) ALDH1A1HPGDMEN1KMT2AAPEX1
SCHEMBL16017439 0.82 ALDH1A1 (0.43) ALDH1A1HPGDAPEX1SMN1; SMN2STIM1
SCHEMBL16017303 0.82 MEN1 (0.50) ALDH1A1HPGDMEN1KMT2AAPEX1
SCHEMBL16017305 0.82 ALDH1A1 (0.43) ALDH1A1HPGDAPEX1SMN1; SMN2GAA
SCHEMBL14887607 0.81 MEN1 (0.38) ALDH1A1MEN1KMT2AAPEX1SMN1; SMN2
SCHEMBL16017299 0.80 HPGD (0.44) ALDH1A1HPGDGAAMAPTKDM4E
SCHEMBL14879431 0.80 STIM1 (0.38) ALDH1A1HPGDMEN1KMT2AAPEX1
SCHEMBL16017438 0.74 MEN1 (0.58) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL16017437 0.72 MEN1 (0.65) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ALDH1A1 4409/4885HPGD 1883/4885MEN1 2958/4885

“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.