SCHEMBL20845318

SCHEMBL20845318

Fc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccc(F)cc5)c4)nc(-c4ccc5c(c4)-c4ccccc4Sc4ccccc4-c4ccccc4/C=C\5)n3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GPR84 Q9NQS5 2/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ ADCY8 P40145 1/20 0.31
▸ ADCY1 Q08828 1/20 0.31
▸ NR3C1 P04150 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31
▸ TOP1 P11387 1/20 0.30
▸ AR P10275 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 1/20 0.30

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
SCHEMBL20845319 0.93 GP6 (0.33) NPC1RAB9ASMN1; SMN2
SCHEMBL20845323 0.91 MEN1 (0.34) NPC1TP53RAB9ASMN1; SMN2ADORA2A
SCHEMBL20845325 0.87 MEN1 (0.36) NPC1RAB9ASMN1; SMN2GPR84ADORA2A
SCHEMBL20845322 0.86 MEN1 (0.34) SMN1; SMN2ADORA2AADORA1
SCHEMBL20845141 0.86 MEN1 (0.37) NPC1RAB9ASMN1; SMN2GPR84ADORA2A
SCHEMBL20845314 0.84 CYP11B1 (0.41) NPC1TP53RAB9ASMN1; SMN2
SCHEMBL20845150 0.83 NPC1 (0.36) NPC1TP53RAB9ASMN1; SMN2ADCY8
SCHEMBL20845239 0.81 MEN1 (0.42) SMN1; SMN2ADORA2AADORA1
SCHEMBL20845137 0.78 MEN1 (0.37) GPR84ADORA2AADORA1
SCHEMBL20222671 0.78 MEN1 (0.47) NPC1RAB9ASMN1; 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-20190092745-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2019-03-28 — — 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-20190092745-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME SCO2, AOX1, ORC3 NPC1 4683/4885TP53 3777/4885RAB9A 635/4885

“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.

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