SCHEMBL16614205

SCHEMBL16614205

Cn1cc(NC(=O)CBr)cn1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.71
HTT P42858 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
EPHX2 P34913 1/20 0.48
NAMPT P43490 1/20 0.47
MAOA P21397 1/20 0.45
EGFR P00533 2/20 0.42
FGFR1 P11362 2/20 0.42
KDR P35968 2/20 0.42
FSCN1 Q16658 2/20 0.41
KDM1A O60341 7/20 0.41
PDGFRB P09619 1/20 0.39
FLT4 P35916 1/20 0.39
FLT3 P36888 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
SCHEMBL25020926 0.84 ALDH1A1 (0.73) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2
SCHEMBL23976511 0.81 ALDH1A1 (0.69) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2
SCHEMBL30738415 0.81 SMN1; SMN2 (0.69) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2
SCHEMBL22648389 0.80 SMN1; SMN2 (0.67) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2
SCHEMBL19851616 0.80 SMN1; SMN2 (0.67) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2
SCHEMBL22775067 0.80 ALDH1A1 (0.67) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2
SCHEMBL22775284 0.80 ALDH1A1 (0.67) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2
SCHEMBL22774233 0.79 ALDH1A1 (0.65) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2
SCHEMBL4730942 0.78 ALDH1A1 (0.64) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2
SCHEMBL6971648 0.78 HTT (0.64) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2

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-9850203-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-12-26 US disclosed
US-9850203-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-12-26 US disclosed
US-9850203-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-12-26 US disclosed
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-07-28 US disclosed
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-07-28 US disclosed
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-07-28 US disclosed
WO-2015048301-A1 AUTOTAXIN INHIBITOR COMPOUNDS PHARMAKEA, INC. (US) 2015-04-02 WO 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-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS ENPP2, SERPINB1, SERPINE1 ALDH1A1 4720/4885HTT 138/4885SMN1; SMN2 2892/4885

“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.