SCHEMBL4041568

SCHEMBL4041568

Oc1cccc(-c2n[c]c[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 10/20 0.47
HSD17B2 P37059 9/20 0.47
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 2/20 0.45
METAP2 P50579 1/20 0.45
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
PTPN1 P18031 1/20 0.42
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
CDC7 O00311 1/20 0.39
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PARP1 P09874 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
SCHEMBL2651262 0.79 IDO1 (0.45) MGAMGAASIMGAM2ESR2
SCHEMBL2650383 0.79 IDO1 (0.49) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2091213 0.79 IDO1 (0.45) CYP2C9METAP2CYP1A2ALDH1A1
SCHEMBL4049207 0.79 ALDH1A1 (0.47) METAP2GAACYP1A2MAPTRXFP1
SCHEMBL4049587 0.77 ALDH1A1 (0.41) CYP3A4MGAMGAASIMGAM2
SCHEMBL403894 0.77 MTOR (0.43) CYP3A4GAACYP1A2MAPTALDH1A1
SCHEMBL2651934 0.76 NR4A2 (0.36) CYP3A4
SCHEMBL2653005 0.75 DCUN1D1 (0.49) CYP2C9GAACYP1A2CYP2B6MAPT
SCHEMBL2095585 0.75 KIF11 (0.47) CYP3A4CYP2C9CYP2C19
SCHEMBL4015570 0.75 SCN2A (0.55) CYP3A4CYP2C9CYP1A2PARP1ALDH1A1

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 HSD17B1 1461/4885HSD17B2 1397/4885CYP3A4 547/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R HSD17B1 1225/4885HSD17B2 1168/4885CYP3A4 601/4885

“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.