SCHEMBL15547434

SCHEMBL15547434

C[C@@H]1CN(c2ccc(C(=O)O)c(Cl)c2)C[C@H](C)O1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.52
NR4A1 P22736 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
CASP1 P29466 1/20 0.44
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 1/20 0.43
NOTUM Q6P988 2/20 0.42
KMT2A Q03164 2/20 0.41
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
PTPRF P10586 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL15547503 0.84 MAPT (0.44) MYCNR4A1ALDH1A1HPGDSMN1; SMN2
SCHEMBL24117738 0.83 ALDH1A1 (0.47) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL15546813 0.83 MYC (0.52) MYCNR4A1ALDH1A1HPGDTSHR
SCHEMBL30774088 0.83 ALDH1A1 (0.47) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL29032409 0.81 GAK (0.53) ALDH1A1SMN1; SMN2MAPTKDM4ELMNA
SCHEMBL1414375 0.80 IP6K1 (0.60) ALDH1A1HPGDSMN1; SMN2MAPTKDM4E
SCHEMBL15547883 0.80 MYC (0.49) MYCNR4A1ALDH1A1HPGDTSHR
SCHEMBL15547054 0.79 MAPT (0.51) ALDH1A1HPGDSMN1; SMN2MAPTKDM4E
SCHEMBL19012716 0.77 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2MAPTKDM4E
SCHEMBL18436827 0.77 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2875005-B1 N-(3-HETEROARYLARYL)-4-ARYLARYLCARBOXAMTDES AND ANALOGS AS HEDGEHOG PATHWAY INHIBITORS AND USE THEREOF IMPACT THERAPEUTICS INC (CN) 2020-11-11 EP disclosed
US-10676468-B2 N-(3-heteroarylaryl)-4-arylarylcarboxamides and analogs as hedgehog pathway inhibitors and use thereof IMPACT THERAPEUTICS, INC. (CN) 2020-06-09 US disclosed
US-20150191460-A1 N-(3-heteroarylaryl)-4-arylarylcarboxamides and Analogs as Hedgehog Pathway Inhibitors and Use Thereof IMPACT THERAPEUTICS, INC. (CN) 2015-07-09 US disclosed
EP-2875005-A1 N-(3-HETEROARYLARYL)-4-ARYLARYLCARBOXAMTDES AND ANALOGS AS HEDGEHOG PATHWAY INHIBITORS AND USE THEREOF Impact Therapeutics, Inc. (CN) 2015-05-27 EP disclosed
WO-2014012511-A1 N-(3-HETEROARYLARYL)-4-ARYLARYLCARBOXAMTDES AND ANALOGS AS HEDGEHOG PATHWAY INHIBITORS AND USE THEREOF IMPACT THERAPEUTICS, INC. (CN) 2014-01-23 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 (2 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-10676468-B2 N-(3-heteroarylaryl)-4-arylarylcarboxamides and analogs as hedgehog pathway inhibitors and use thereof SHH, GLI1, SMO MYC 37/4885NR4A1 282/4885ALDH1A1 493/4885
US-20150191460-A1 N-(3-heteroarylaryl)-4-arylarylcarboxamides and Analogs as Hedgehog Pathway Inhibitors and Use Thereof SHH, GLI1, SMO MYC 37/4885NR4A1 282/4885ALDH1A1 493/4885

“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.