SCHEMBL4044388

SCHEMBL4044388

Fc1ccc(F)c(-c2c[nH][c]n2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 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
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
HK1 P19367 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FABP6 P51161 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL4044625 0.86 ALPL (0.42) TGFBR1RAB9ACYP3A4CYP2C8PDE3B
SCHEMBL4045966 0.78 IDO1 (0.46) ALDH1A1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL4046110 0.73 RAB9A (0.37) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL6002890 0.73 NOTUM (0.41) TGFBR1KDM4EALDH1A1MAPTTHRB
SCHEMBL6002844 0.71 CDK2 (0.38) LRRK2IDO1SLC9A1PDE3BPDE3A
SCHEMBL2093090 0.71 IDO1 (0.49) LMNAKDM4EALDH1A1MAPTRAB9A
SCHEMBL4049874 0.69 NOTUM (0.34)
SCHEMBL28135307 0.69 TGFBR1 (0.36) TGFBR1CA3CA6CA5ACA9
SCHEMBL9766850 0.68 CA9 (0.52) CA3CA6CA5ACA9CA14
SCHEMBL2751995 0.68 TGFBR1 (0.35) TGFBR1CA3CA6CA5ACA9

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 TGFBR1 1025/4885CA3 3337/4885CA6 1603/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R TGFBR1 1242/4885CA3 3445/4885CA6 1790/4885

“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.