SCHEMBL12434677

SCHEMBL12434677

CC(=O)c1c(-c2cnccn2)csc1NC(=O)c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
KCNQ3 O43525 2/20 0.43
KCNQ2 O43526 2/20 0.43
KCNQ5 Q9NR82 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
ANO1 Q5XXA6 2/20 0.42
BRAF P15056 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 2/20 0.42
PKM P14618 1/20 0.42
KCNE1 P15382 1/20 0.42
KCNQ1 P51787 1/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL2182642 0.91 ANO1 (0.53) RAB9AALDH1A1KCNQ3KCNQ2KCNQ5
SCHEMBL12414177 0.80 CASP3 (0.63) RAB9AALDH1A1LMNAGLAHPGD
SCHEMBL12414202 0.76 ANO1 (0.69) RAB9AALDH1A1LMNAGLAHPGD
SCHEMBL12414205 0.75 ANO1 (0.63) RAB9AALDH1A1LMNAGLAHPGD
SCHEMBL12434682 0.75 NPC1 (0.57) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL12830913 0.74 CYP1A2 (0.46) RAB9AALDH1A1KCNQ3KCNQ2KCNQ5
SCHEMBL15241627 0.73 ANO1 (0.55) RAB9AALDH1A1LMNAGLAHPGD
SCHEMBL7945296 0.72 ANO1 (0.55) RAB9AALDH1A1LMNAGLAHPGD
SCHEMBL2178832 0.72 KCNQ3 (0.58) RAB9AKCNQ3KCNQ2KCNQ5SMN1; SMN2
SCHEMBL2179982 0.72 CASP3 (0.55) RAB9AALDH1A1SMN1; SMN2NPC1ANO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981925-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2011-07-19 US disclosed
US-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-03-04 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-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885ALDH1A1 4409/4885LMNA 1306/4885

“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.