SCHEMBL4601844

SCHEMBL4601844

COc1ccc(-c2nc(C(=O)O)c3cc(I)ccc3n2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
PDE4B Q07343 2/20 0.42
PDGFRB P09619 2/20 0.42
PDGFRA P16234 2/20 0.42
ABCG2 Q9UNQ0 2/20 0.41
DYRK1A Q13627 1/20 0.41
JAK2 O60674 1/20 0.39
ERN1 O75460 1/20 0.39
AR P10275 1/20 0.38
XDH P47989 1/20 0.38
PTGFR P43088 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL3935450 0.87 LMNA (0.47) RAB9ALMNAMAPK1HTTPDE4B
SCHEMBL4601628 0.80 KDM4E (0.56) RAB9ALMNAALDH1A1KDM4EMEN1
SCHEMBL16038377 0.77 PDE10A (0.55) PDGFRBPDGFRAABCG2KDM4ESMN1; SMN2
SCHEMBL16037765 0.73 DHODH (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2PDE10A
SCHEMBL4601245 0.71 RAB9A (0.52) RAB9ALMNAMAPK1HTTPDE4B
SCHEMBL25082162 0.69 ABCG2 (0.58) LMNAPDGFRBPDGFRAABCG2MEN1
SCHEMBL16038264 0.69 WHR1 (0.47) PDGFRBPDGFRAALDH1A1KDM4EPDE10A
SCHEMBL16038386 0.69 CYP1A2 (0.50) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL30595083 0.69 LMNA (0.75) RAB9ALMNAMAPK1HTTPDE4B
SCHEMBL3643490 0.69 LMNA (0.75) RAB9ALMNAMAPK1HTTPDE4B

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
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP claimed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO claimed
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R RAB9A 2725/4885LMNA 3198/4885MAPK1 3998/4885

“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.