SCHEMBL543891

SCHEMBL543891

Cn1cc2c(C=O)ccc(F)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
IDO1 P14902 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
IMPDH2 P12268 1/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL544049 0.80 RAB9A (0.36) ALDH1A1KDM4EKMT2AMEN1RAB9A
SCHEMBL2778189 0.79 MIF (0.43) ALDH1A1KDM4EKMT2AMEN1RAB9A
SCHEMBL2778185 0.79 MIF (0.43) ALDH1A1KDM4EKMT2AMEN1RAB9A
SCHEMBL543357 0.77 MAOA (0.36) ERN1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL806273 0.75 TGFBR1 (0.34) HTTRXFP1
SCHEMBL543265 0.75 MAOA (0.33) MAOAMAOB
SCHEMBL543266 0.75 MAOA (0.33) MAOAMAOB
SCHEMBL27229468 0.75 HRH4 (0.32)
SCHEMBL26926825 0.74 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL25103492 0.73 ALDH1A1 (0.34) ALDH1A1KDM4EKMT2AMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141150-B1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-12-11 EP disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
CN-101687810-A Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL 2010-03-31 CN disclosed
EP-2141150-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-01-06 EP disclosed
EP-2141150-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-01-06 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 (1 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-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, XDH ERN1 3017/4885ALDH1A1 1431/4885KDM4E 2179/4885

“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.