SCHEMBL4304475

SCHEMBL4304475

CC(C)(C)OC(=O)Nc1cc(CCc2ccccc2)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
BRD4 O60885 1/20 0.43
CNR2 P34972 1/20 0.43
KCNQ4 P56696 1/20 0.43
KCNQ5 Q9NR82 1/20 0.43
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
DRD2 P14416 1/20 0.42
AKT1 P31749 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL22411865 0.84 KCNQ4 (0.46) RAB9ACNR2KCNQ4KCNQ5AKT1
SCHEMBL28046953 0.83 KCNQ4 (0.45) RAB9ACNR2KCNQ4KCNQ5ALDH1A1
SCHEMBL31172075 0.83 KCNQ4 (0.47) RAB9ACNR2KCNQ4KCNQ5AKT1
SCHEMBL22411949 0.83 KCNQ4 (0.47) RAB9ACNR2KCNQ4KCNQ5AKT1
SCHEMBL30002232 0.83 KCNQ4 (0.45) RAB9ACNR2KCNQ4KCNQ5ALDH1A1
SCHEMBL8253191 0.80 SYK (0.50) RAB9ANPC1MEN1KMT2AGLS
SCHEMBL7042995 0.79 DRD2 (0.59) RAB9ASMN1; SMN2NPC1CA12CA1
SCHEMBL7156537 0.79 MGLL (0.52) RAB9ASMN1; SMN2NPC1CA12CA1
SCHEMBL28660043 0.79 KCNQ4 (0.42) RAB9ANPC1CNR2KCNQ4KCNQ5
SCHEMBL16246161 0.78 CYP17A1 (0.47) RAB9AKCNQ4KCNQ5DRD2AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1939204-B3 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2022-08-24 EP disclosed
US-9040693-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
EP-1939204-B1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2013-01-02 EP disclosed
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-1939204-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2008-07-02 EP 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-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF SHBG, CYP19A1, NR5A1 RAB9A 2828/4885SMN1; SMN2 4008/4885NPC1 3015/4885

“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.