SCHEMBL15828632

SCHEMBL15828632

CCCn1cnc2cc(C(C)(C)C)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
MAPT P10636 6/20 0.48
KDM4E B2RXH2 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 2/20 0.48
TP53 P04637 2/20 0.48
HDAC1 Q13547 1/20 0.48
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
GFER P55789 1/20 0.47
HSD17B10 Q99714 3/20 0.46
LMNA P02545 3/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 3/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL12873184 0.87 NPC1 (0.49) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL23479575 0.86 TDP1 (0.49) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL15828631 0.86 MAPT (0.49) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL19848394 0.86 NPSR1 (0.48) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL15829318 0.84 MAPT (0.43) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL25899200 0.83 NR1I2 (0.43) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL21026260 0.81 MAPT (0.48) MAPTKDM4ETP53HDAC1HTT
SCHEMBL26803323 0.80 NR1I2 (0.41) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL14501874 0.80 POLB (0.56) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL21026152 0.79 KDM4E (0.50) MAPTKDM4ESMN1; SMN2ALDH1A1HDAC1

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-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 US disclosed
US-20160340314-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2016-11-24 US disclosed
US-9440951-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2016-09-13 US disclosed
US-20150239865-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-08-27 US disclosed
US-9067887-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2015-06-30 US disclosed
US-20150005287-A2 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-01 US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 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 (5 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-20150239865-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 NPC1 664/4885RAB9A 2337/4885MAPT 4550/4885
US-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 NPC1 664/4885RAB9A 2337/4885MAPT 4550/4885
US-20160340314-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 NPC1 664/4885RAB9A 2337/4885MAPT 4550/4885
US-20150005287-A2 QUINOLONE COMPOUND HAX1, NQO2, VIP NPC1 722/4885RAB9A 2290/4885MAPT 4586/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 NPC1 664/4885RAB9A 2337/4885MAPT 4550/4885

“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.