SCHEMBL4050089

SCHEMBL4050089

Fc1ccc(F)c(-c2c[c]n[nH]2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
NPY5R Q15761 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
NOTUM Q6P988 1/20 0.33
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32
HK1 P19367 1/20 0.32

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
SCHEMBL4051540 0.86 ALPL (0.37) IDO1NOTUMALDH1A1THRBNISCH
SCHEMBL1899150 0.78 NISCH (0.41) IDO1NOTUMMAPTRAB9ASMN1; SMN2
SCHEMBL22638870 0.70 IDO1 (0.71) IDO1NOTUMALDH1A1POLB
SCHEMBL4045819 0.69 NOTUM (0.47) NOTUMNISCH
SCHEMBL9766850 0.68 CA9 (0.52) CA3CA6CA5ACA9CA14
SCHEMBL4046137 0.68 PTPN1 (0.35) IDO1CA3CA6CA5ACA9
SCHEMBL30512003 0.66 IDO1 (0.37) IDO1NPY5RCA3CA6CA5A
SCHEMBL6909425 0.66 ABCC8 (0.36) IDO1NPY5RMAPTRAB9ASMN1; SMN2
SCHEMBL2751318 0.64 GRM5 (0.33) IDO1CA3CA6CA5ACA9
SCHEMBL4045025 0.64 PTPN1 (0.35) IDO1CA3CA6CA5ACA9

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-7589096-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-15 US disclosed
EP-1566384-B1 NOVEL AZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2009-06-17 EP disclosed
US-20080188507-A1 Novel azole derivatives MSD K.K. (JP) 2008-08-07 US disclosed
US-7365079-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-29 US disclosed
US-20060111380-A1 Novel azole derivatives MSD K.K. (JP) 2006-05-25 US disclosed
EP-1566384-A1 NOVEL AZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-24 EP 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-20080188507-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R IDO1 183/4885NPY5R 2/4885CCNE2 2043/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R IDO1 263/4885NPY5R 2/4885CCNE2 2150/4885

“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.