SCHEMBL1805334

SCHEMBL1805334

O=C1c2ccccc2CCc2sc(Br)cc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
CES1 P23141 2/20 0.53
MAOA P21397 1/20 0.44
MAPK14 Q16539 3/20 0.41
MAOB P27338 2/20 0.41
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MIF P14174 3/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
NOTUM Q6P988 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL1804757 0.79 CES1 (0.60) L3MBTL1TDP1CES1MAOAMAPK14
SCHEMBL29437756 0.76 CES1 (0.90) L3MBTL1TDP1CES1MAOAMAPK14
SCHEMBL29408351 0.76 CES1 (0.90) L3MBTL1TDP1CES1MAOAMAPK14
SCHEMBL44496 0.76 CES1 (0.90) L3MBTL1TDP1CES1MAOAMAPK14
SCHEMBL11551043 0.74 ALDH1A1 (0.43) L3MBTL1TDP1CES1MAOAMAPK14
SCHEMBL3045257 0.73 CHRM2 (0.67) TDP1MAPTALDH1A1LMNAMEN1
SCHEMBL3036634 0.73 CES1 (0.61) L3MBTL1TDP1CES1MAOAMAPK14
SCHEMBL7052871 0.73 TDP1 (1.00) L3MBTL1TDP1CES1MAOAMAPK14
SCHEMBL1306661 0.73 TDP1 (0.80) L3MBTL1TDP1CES1MAOAMAPK14
SCHEMBL13712393 0.72 CES1 (1.00) L3MBTL1TDP1CES1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3081213-B1 TRICYCLIC COMPOUND KYOWA KIRIN CO LTD (JP) 2020-04-01 EP disclosed
US-9475805-B2 Tricyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-10-25 US disclosed
EP-3081213-A1 TRICYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2016-10-19 EP disclosed
EP-2319840-B1 AMINOPROPYLIDENE DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO (JP) 2015-12-16 EP disclosed
US-20150291587-A1 TRICYCLIC COMPOUND KYOWA KIRIN CO., LTD. (JP) 2015-10-15 US disclosed
EP-2243778-B1 PIPERIDINE DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO (JP) 2014-10-29 EP disclosed
US-8653285-B2 Aminopropylidene derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 US disclosed
US-20130267711-A1 TRICYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2013-10-10 US disclosed
US-8486980-B2 Tricyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-07-16 US disclosed
US-8377967-B2 Piperidine derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2013-02-19 US disclosed
US-20110201640-A1 TRICYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-18 US disclosed
EP-2327690-A1 TRICYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2011-06-01 EP disclosed
US-20110124856-A1 AMINOPROPYLIDENE DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
EP-2319840-A1 AMINOPROPYLIDENE DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2011-05-11 EP disclosed
US-20100331365-A1 PIPERIDINE DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-12-30 US disclosed
EP-2243778-A1 PIPERIDINE DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2010-10-27 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 (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-20150291587-A1 TRICYCLIC COMPOUND PPARA, PPARG, PPARD L3MBTL1 1512/4885TDP1 4091/4885CES1 228/4885
US-20100331365-A1 PIPERIDINE DERIVATIVE HRH4, HRH3, HRH2 L3MBTL1 4267/4885TDP1 4028/4885CES1 1677/4885
US-20130267711-A1 TRICYCLIC COMPOUND PPARA, PPARG, PPARD L3MBTL1 1512/4885TDP1 4091/4885CES1 228/4885
US-20110124856-A1 AMINOPROPYLIDENE DERIVATIVE HRH2, HRH3, HRH4 L3MBTL1 564/4885TDP1 3965/4885CES1 2989/4885
US-20110201640-A1 TRICYCLIC COMPOUND PPARG, PPARA, PPARD L3MBTL1 1741/4885TDP1 4171/4885CES1 285/4885

“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.