SCHEMBL15829318

SCHEMBL15829318

CN(C)CCn1cnc2cc(C(C)(C)C)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
HSD17B10 Q99714 1/20 0.43
HDAC1 Q13547 1/20 0.42
KDM4E B2RXH2 2/20 0.41
EGFR P00533 2/20 0.41
NR1I2 O75469 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
CNR2 P34972 2/20 0.38
FGFR1 P11362 3/20 0.37
SRC P12931 3/20 0.37
TGFBR1 P36897 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 2/20 0.36
HTR6 P50406 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL21026260 0.92 MAPT (0.48) MAPTHSD17B10HDAC1KDM4ENR1I2
SCHEMBL21025781 0.89 HTR6 (0.42) MAPTHDAC1KDM4EEGFRTDP1
SCHEMBL15828632 0.84 NPC1 (0.49) MAPTHSD17B10HDAC1KDM4ENR1I2
SCHEMBL23479575 0.82 TDP1 (0.49) MAPTHSD17B10NR1I2TDP1LMNA
SCHEMBL15828631 0.82 MAPT (0.49) MAPTHSD17B10HDAC1KDM4ENR1I2
SCHEMBL18731436 0.81 MAPT (0.46) MAPTHSD17B10HDAC1KDM4EEGFR
SCHEMBL21025786 0.81 TGFBR1 (0.43) MAPTHSD17B10KDM4EEGFRTDP1
SCHEMBL12873184 0.80 NPC1 (0.49) MAPTHSD17B10HDAC1KDM4ENR1I2
SCHEMBL17678214 0.79 EGFR (0.56) MAPTHSD17B10HDAC1EGFRTDP1
SCHEMBL25899200 0.79 NR1I2 (0.43) MAPTHSD17B10KDM4ENR1I2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 US disclosed
US-20200055823-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2020-02-20 US disclosed
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
US-20190077762-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2019-03-14 US disclosed
EP-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP disclosed
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 (9 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 MAPT 4550/4885HSD17B10 640/4885HDAC1 746/4885
US-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 MAPT 4550/4885HSD17B10 640/4885HDAC1 746/4885
US-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 MAPT 4550/4885HSD17B10 640/4885HDAC1 746/4885
US-20160340314-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 MAPT 4550/4885HSD17B10 640/4885HDAC1 746/4885
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 MAPT 3263/4885HSD17B10 85/4885HDAC1 217/4885
US-20150005287-A2 QUINOLONE COMPOUND HAX1, NQO2, VIP MAPT 4586/4885HSD17B10 624/4885HDAC1 968/4885
US-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 MAPT 4588/4885HSD17B10 617/4885HDAC1 786/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 MAPT 4550/4885HSD17B10 640/4885HDAC1 746/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 MAPT 4051/4885HSD17B10 626/4885HDAC1 758/4885

“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.