SCHEMBL3071932

SCHEMBL3071932

Fc1cccc(C(c2cccnc2)c2cnc[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.48
IDO1 P14902 1/20 0.43
HRH3 Q9Y5N1 3/20 0.43
CFTR P13569 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GOPC Q9HD26 1/20 0.42
HRH4 Q9H3N8 2/20 0.40
ADRA2A P08913 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
POLB P06746 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL3073542 0.87 CYP19A1 (0.49) CYP19A1IDO1HRH3SLC6A2SLC6A4
SCHEMBL1639415 0.87 CYP19A1 (0.55) CYP19A1IDO1ADRA2ATAAR1
SCHEMBL3070057 0.82 SLC6A2 (0.65) CYP19A1HRH3CFTRSLC6A2SLC6A4
SCHEMBL3051058 0.81 CYP19A1 (0.46) CYP19A1IDO1HRH3SLC6A2SLC6A4
SCHEMBL3063952 0.81 HRH3 (0.41) CYP19A1HRH3CFTRSLC6A2SLC6A4
SCHEMBL27911640 0.79 HRH3 (0.44) CYP19A1HRH3CFTRSLC6A2SLC6A4
SCHEMBL13089168 0.78 CFTR (0.41) CYP19A1IDO1CFTRSLC6A2SLC6A4
SCHEMBL3060612 0.78 SLC6A2 (0.46) CYP19A1HRH3CFTRSLC6A2SLC6A4
SCHEMBL2626807 0.77 ADRA2A (0.60) CYP19A1IDO1SLC6A2ADRA2ATAAR1
SCHEMBL3062595 0.76 CYP19A1 (0.41) CYP19A1HRH3CFTRSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101743240-B ((phenyl) imidazolyl) methyl heteroaryl compounds ALLERGAN INC 2013-07-17 CN disclosed
EP-2155715-B1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS ALLERGAN INC (US) 2013-03-13 EP disclosed
US-20100273814-A1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS SINHA SANTOSH C 2010-10-28 US disclosed
CN-101743240-A ((phenyl) imidazolyl) methyl heteroaryl compounds ALLERGAN INC 2010-06-16 CN 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-20100273814-A1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS CYP11B2, TPMT, COXFA4L2 CYP19A1 485/4885IDO1 1513/4885HRH3 579/4885

“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.