SCHEMBL470072

SCHEMBL470072

CCNC(=O)c1ccc(B(O)O)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ESRRB O95718 1/20 0.37
ESRRG P62508 1/20 0.37
HPGD P15428 2/20 0.37
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
MAPK14 Q16539 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
BRD4 O60885 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL29955017 0.83 POLB (0.51) LMNANPC1RAB9AHPGDL3MBTL1
SCHEMBL29954265 0.83 LMNA (0.42) LMNAESRRGHPGDLPLLIPG
SCHEMBL457266 0.81 NEU3 (0.39) SMN1; SMN2HTTHPGDLPLLIPG
SCHEMBL4156165 0.80 SMN1; SMN2 (0.64) SMN1; SMN2HTTLMNANPC1RAB9A
SCHEMBL29950679 0.79 HSD17B10 (0.47) HTTLMNANPC1HPGDTAS1R3
SCHEMBL18282327 0.79 HSD17B10 (0.47) HTTLMNANPC1HPGDTAS1R3
SCHEMBL29954131 0.79 LMNA (0.42) HTTLMNALPLLIPGL3MBTL1
SCHEMBL13894647 0.78 SMN1; SMN2 (0.46) SMN1; SMN2HTTLMNANPC1RAB9A
SCHEMBL387816 0.78 TRPV1 (0.54) LMNAHPGDLPLLIPGKMT2A
SCHEMBL25376547 0.77 SLC6A9 (0.46) SMN1; SMN2HTTLMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
EP-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP disclosed
EP-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP disclosed
US-20130338133-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-19 US disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 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-20130338133-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BUB1, TTBK1, BUB1B SMN1; SMN2 1237/4885HTT 1938/4885LMNA 2300/4885

“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.