SCHEMBL16376786

SCHEMBL16376786

CC(C)(C)c1cc2ccccc2[n+]([O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 3/20 0.45
▸ MAOB P27338 1/20 0.36
▸ MEN1 O00255 5/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.31
▸ HSD17B2 P37059 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ UQCRB P14927 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ PLA2G1B P04054 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL15828571 0.79 TERT (0.41) ATMMEN1KMT2ANPC1RAB9A
SCHEMBL25803722 0.78 ATM (0.36) ATMMEN1KMT2ANPC1RAB9A
SCHEMBL264755 0.76 ATM (0.35) ATMMEN1KMT2ANPC1RAB9A
SCHEMBL12458180 0.76 METAP2 (0.34) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL2796407 0.75 ATM (0.50) ATMMEN1KMT2ANPC1RAB9A
SCHEMBL25413825 0.71 ATM (0.50) ATMMAOBMEN1KMT2ANPC1
SCHEMBL13806417 0.71 ATM (0.50) ATMMEN1KMT2ANPC1RAB9A
SCHEMBL1394239 0.71 ATM (0.50) ATMMEN1KMT2ANPC1RAB9A
SCHEMBL1285478 0.71 ATM (0.50) ATMMAOBMEN1KMT2ANPC1
SCHEMBL8512795 0.71 ATM (0.50) ATMMEN1KMT2ANPC1RAB9A

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 5 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-20150005287-A2 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-01 — — 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 (4 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 ATM 4706/4885MAOB 4060/4885MEN1 4633/4885
US-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 ATM 4706/4885MAOB 4060/4885MEN1 4633/4885
US-20160340314-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 ATM 4706/4885MAOB 4060/4885MEN1 4633/4885
US-20150005287-A2 QUINOLONE COMPOUND HAX1, NQO2, VIP ATM 4703/4885MAOB 4197/4885MEN1 4655/4885

“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.

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