SCHEMBL266418

SCHEMBL266418

Cc1cc(C)n(Cc2cccs2)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 12/20 0.54
▸ NPC1 O15118 10/20 0.54
▸ SMN1; SMN2 Q16637 10/20 0.54
▸ LMNA P02545 7/20 0.54
▸ TP53 P04637 5/20 0.54
▸ ALDH1A1 P00352 8/20 0.52
▸ MAPT P10636 6/20 0.52
▸ L3MBTL1 Q9Y468 4/20 0.52
▸ KLKB1 P03952 1/20 0.49
▸ KLK1 P06870 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.48
▸ KLF5 Q13887 1/20 0.48
▸ NOD1 Q9Y239 1/20 0.48
▸ TSHR P16473 8/20 0.47
▸ MAPK1 P28482 4/20 0.47
▸ HTT P42858 3/20 0.47
▸ POLB P06746 3/20 0.46
▸ NR2F2 P24468 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL15987441 0.79 RAB9A (0.66) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL24834367 0.72 RAB9A (0.59) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL4114205 0.72 RAB9A (0.81) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL6871202 0.71 MAPT (0.44) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL9369418 0.69 MEN1 (0.47) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL17544480 0.65 CYP1A2 (0.43) SMN1; SMN2LMNATP53ALDH1A1MAPT
SCHEMBL12926004 0.64 KDM4E (0.48) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL448303 0.63 HTT (0.50) ALDH1A1MAPTL3MBTL1KDM4ETSHR
SCHEMBL10646248 0.62 HTT (0.48) SMN1; SMN2ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL2329081 0.62 — —

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-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 — — US disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 — — US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 — — US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 — — US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 — — US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 — — US disclosed
EP-1995240-B1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-02-22 — — EP disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 — — US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 — — US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 — — US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 — — US disclosed
EP-1995240-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 — — 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 (3 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 RAB9A 841/4885NPC1 1485/4885SMN1; SMN2 1844/4885
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 RAB9A 1372/4885NPC1 2947/4885SMN1; SMN2 4576/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 RAB9A 1250/4885NPC1 3482/4885SMN1; SMN2 4563/4885

“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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