SCHEMBL7326778

SCHEMBL7326778

COC(=O)c1ccc(N2CCCCC2)nc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.71
NPC1 O15118 2/20 0.71
KMT2A Q03164 1/20 0.71
CRBN Q96SW2 4/20 0.60
HRH3 Q9Y5N1 2/20 0.57
UBE2T Q9NPD8 1/20 0.55
DDB1 Q16531 2/20 0.55
OGA O60502 1/20 0.55
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
HSD17B10 Q99714 2/20 0.53
POLB P06746 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL3895677 0.98 RAB9A (0.72) RAB9ANPC1KMT2ACRBNHRH3
SCHEMBL7325387 0.89 NPC1 (0.58) RAB9ANPC1KMT2ACRBNHRH3
SCHEMBL5202526 0.88 RAB9A (0.67) RAB9ANPC1KMT2ACRBNHRH3
SCHEMBL9210265 0.87 HRH3 (0.69) RAB9ANPC1KMT2ACRBNHRH3
SCHEMBL1331652 0.87 RAB9A (0.73) RAB9ANPC1KMT2ACRBNHRH3
SCHEMBL5204132 0.86 RAB9A (0.62) RAB9ANPC1KMT2ACRBNHRH3
SCHEMBL8087281 0.86 RAB9A (0.55) RAB9ANPC1KMT2ACRBNHRH3
SCHEMBL18744958 0.85 RAB9A (0.67) RAB9ANPC1KMT2ACRBNHRH3
SCHEMBL64370 0.85 NPC1 (0.71) RAB9ANPC1KMT2ACRBNHRH3
SCHEMBL532001 0.85 RAB9A (0.67) RAB9ANPC1KMT2ACRBNHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2018-05-24 US disclosed
US-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed
EP-1053247-A1 ANTIFUNGAL CYCLOHEXAPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-22 EP disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 WO disclosed
EP-0385351-B1 Nicotinic acid derivatives and pharmaceutical compositions comprising same NISSHIN FLOUR MILLING CO (JP) 1995-01-11 EP disclosed
US-5025012-A Cardiovascular disorders; antiischemic agents NISSHIN FLOUR MILLING CO., LTD. (JP) 1991-06-18 US disclosed
EP-0385351-A1 Nicotinic acid derivatives and pharmaceutical compositions comprising same NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-09-05 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-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 RAB9A 2395/4885NPC1 512/4885KMT2A 103/4885

“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.