SCHEMBL15828697

SCHEMBL15828697

Cc1ccc(C(C)(C)C)cc1C(=O)NCCN(C)C

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP1A2 P05177 1/20 0.48
ESRRG P62508 3/20 0.47
ESRRB O95718 1/20 0.47
RAD52 P43351 1/20 0.44
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
NR5A2 O00482 1/20 0.41
NR5A1 Q13285 1/20 0.41
HTR2C P28335 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
SCHEMBL15828696 0.84 ESRRG (0.50) SMN1; SMN2CYP1A2ESRRGESRRBHPGD
SCHEMBL15828698 0.84 ESRRG (0.50) SMN1; SMN2ESRRGESRRBALDH1A1HSD17B10
SCHEMBL15829370 0.83 KMT2A (0.56) HTTSMN1; SMN2CYP1A2RAD52ALDH1A1
SCHEMBL25795350 0.81 ESRRG (0.46) SMN1; SMN2ESRRGESRRBNR5A2NR5A1
SCHEMBL10202491 0.79 RAB9A (0.62) HTTSMN1; SMN2ESRRGESRRBALDH1A1
SCHEMBL12203043 0.77 ALDH1A1 (0.53) HTTSMN1; SMN2ESRRGRAD52ALDH1A1
SCHEMBL13161952 0.76 SMN1; SMN2 (0.68) HTTSMN1; SMN2CYP1A2RAD52ALDH1A1
SCHEMBL12203377 0.76 ALDH1A1 (0.55) SMN1; SMN2ESRRGALDH1A1MAPK1
SCHEMBL25800159 0.76 NR1H4 (0.47) HTTSMN1; SMN2ESRRGESRRBALDH1A1
SCHEMBL25094360 0.74 RXRA (0.57) ALDH1A1

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 HTT 3495/4885SMN1; SMN2 4778/4885CYP1A2 252/4885
US-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 HTT 3495/4885SMN1; SMN2 4778/4885CYP1A2 252/4885
US-20160340314-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 HTT 3495/4885SMN1; SMN2 4778/4885CYP1A2 252/4885
US-20150005287-A2 QUINOLONE COMPOUND HAX1, NQO2, VIP HTT 3543/4885SMN1; SMN2 4787/4885CYP1A2 275/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 HTT 3495/4885SMN1; SMN2 4778/4885CYP1A2 252/4885

“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.