SCHEMBL2305565

SCHEMBL2305565

O=C(O)c1ccc(N2CCCCC2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.59
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
MAPT P10636 4/20 0.55
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 3/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 3/20 0.46
TSHR P16473 2/20 0.46
HIF1A Q16665 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
DHODH Q02127 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL17142768 0.98 IP6K1 (0.61) IP6K1NPC1RAB9AMAPTALDH1A1
SCHEMBL27571515 0.85 IP6K1 (0.62) IP6K1NPC1RAB9AMAPTALDH1A1
SCHEMBL18394573 0.84 PRKDC (0.56) IP6K1NPC1RAB9AMAPTALDH1A1
SCHEMBL1892912 0.84 RAB9A (0.51) IP6K1NPC1RAB9AMAPTKDM4E
SCHEMBL30689227 0.84 PRKDC (0.56) IP6K1NPC1RAB9AMAPTALDH1A1
SCHEMBL20976865 0.83 IP6K1 (0.51) IP6K1NPC1RAB9AMAPTALDH1A1
SCHEMBL16608992 0.81 RAB9A (0.53) IP6K1NPC1RAB9AMAPTALDH1A1
SCHEMBL733038 0.81 ALDH1A1 (0.62) IP6K1MAPTALDH1A1KDM4EHPGD
SCHEMBL27195824 0.80 KDM4E (0.50) IP6K1MAPTALDH1A1KDM4EHIF1A
SCHEMBL2304941 0.80 IP6K1 (0.59) IP6K1NPC1RAB9AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350311-B1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS MADRIGAL PHARMACEUTICALS INC (US) 2013-12-25 EP claimed
EP-2350311-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2011-08-03 EP claimed
WO-2010056506-A1 DIACYLGLYCEROL ACLYTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2010-05-20 WO claimed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 US claimed

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-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, MOGAT2 IP6K1 416/4885NPC1 432/4885RAB9A 2586/4885

“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.