SCHEMBL14770528

SCHEMBL14770528

CC(c1ccc(OCc2cc(F)ccc2F)cc1)c1nc2ccccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
TP53 P04637 3/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MLKL Q8NB16 2/20 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
SCHEMBL14770531 0.92 CACNA1C (0.40) POLBCYP1A1CYP1A2CYP1B1KMT2A
SCHEMBL14770538 0.88 CACNA1C (0.40) CYP1A1CYP1A2CYP1B1KMT2AMEN1
SCHEMBL14770532 0.88 AMY1A (0.38) NPC1RAB9ASMN1; SMN2CYP1A1CYP1A2
SCHEMBL14770537 0.88 CACNA1C (0.38) NPC1RAB9ASMN1; SMN2CYP1A1CYP1A2
SCHEMBL14770530 0.88 CACNA1C (0.38) POLBCYP1A1CYP1A2CYP1B1KMT2A
SCHEMBL14770527 0.88 CACNA1C (0.38) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL14770526 0.87 CACNA1C (0.48) NPC1RAB9ASMN1; SMN2POLBCYP1A1
SCHEMBL14770534 0.87 SMN1; SMN2 (0.39) RAB9ASMN1; SMN2CYP1A1CYP1A2CYP1B1
SCHEMBL12066065 0.86 MLKL (0.43) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL14770529 0.85 FFAR1 (0.38) SMN1; SMN2CYP1A1CYP1A2CYP1B1LMNA

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-9096531-B2 Fused imidazole derivative TOA EIYO LTD. (JP) 2015-08-04 US disclosed
US-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE TOA EIYO LTD. (JP) 2013-03-14 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-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE CACNA1E, CACNA1G, CACNA1A NPC1 2440/4885RAB9A 298/4885SMN1; SMN2 1964/4885

“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.