SCHEMBL12830004

SCHEMBL12830004

O=C(NCc1ccccc1F)Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
CNR1 P21554 2/20 0.45
IDH1 O75874 1/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 3/20 0.44
PKM P14618 3/20 0.44
MAPT P10636 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 4/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL12830003 0.86 TP53 (0.49) ROCK2ROCK1KMT2AMEN1LMNA
SCHEMBL12830743 0.83 CNR1 (0.42) CNR1KMT2AMEN1LMNAMAPT
SCHEMBL12756643 0.83 TDP1 (0.41) CNR1KMT2AMEN1LMNAMAPT
SCHEMBL1952257 0.81 ANO1 (0.59) KMT2AMEN1NPC1
SCHEMBL12830007 0.80 CNR1 (0.57) ROCK2ROCK1CNR1KMT2AMEN1
SCHEMBL12756898 0.79 MEN1 (0.53) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL12756690 0.76 ANO1 (0.42) CNR1KMT2AMEN1LMNAMAPT
SCHEMBL1490200 0.76 ANO1 (0.42) CNR1KMT2AMEN1LMNAMAPT
SCHEMBL12830434 0.76 ANO1 (0.42) CNR1KMT2AMEN1LMNAMAPT
SCHEMBL12756649 0.75 HCAR2 (0.43) CNR1KMT2AMEN1SMN1; SMN2RAB9A

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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 US disclosed
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 WO disclosed
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 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 (2 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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ROCK2 2089/4885ROCK1 2473/4885CNR1 307/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ROCK2 2089/4885ROCK1 2473/4885CNR1 307/4885

“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.