SCHEMBL16019771

SCHEMBL16019771

Cc1ncoc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
RAB9A P51151 5/20 0.48
LMNA P02545 5/20 0.48
HSD17B10 Q99714 5/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 2/20 0.47
PKM P14618 2/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 2/20 0.46
TSHR P16473 2/20 0.46
STIM1 Q13586 1/20 0.41
ORAI1 Q96D31 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 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
SCHEMBL16017197 0.87 ALDH1A1 (0.58) ALDH1A1RAB9ALMNAHSD17B10SMN1; SMN2
SCHEMBL16019773 0.86 GRM1 (0.48) ALDH1A1RAB9ANPC1POLBSTIM1
SCHEMBL16017205 0.85 GRM1 (0.52) RAB9ANPC1KMT2APKM
SCHEMBL14887484 0.83 CRACR2A (0.45) ALDH1A1RAB9AHSD17B10POLBSTIM1
SCHEMBL16017182 0.83 BACE1 (0.44) ALDH1A1RAB9AHSD17B10KMT2APOLB
SCHEMBL16017173 0.82 DGAT1 (0.45) ALDH1A1RAB9AHSD17B10NPC1SMN1; SMN2
SCHEMBL16019788 0.82 DGAT1 (0.44) ALDH1A1RAB9AHSD17B10KMT2APOLB
SCHEMBL16017189 0.81 STIM1 (0.51) ALDH1A1RAB9ALMNAHSD17B10SMN1; SMN2
SCHEMBL16017209 0.81 RAB9A (0.47) ALDH1A1RAB9AHSD17B10NPC1SMN1; SMN2
SCHEMBL16019792 0.81 ALDH1A1 (0.44) ALDH1A1RAB9AHSD17B10SMN1; SMN2POLB

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 4409/4885RAB9A 1174/4885LMNA 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.