SCHEMBL913686

SCHEMBL913686

OC(c1ccccc1)(c1ccccc1)c1cccnc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.72
CYP3A4 P08684 7/20 0.64
CYP3A5 P20815 6/20 0.64
KCNA5 P22460 3/20 0.59
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HIF1A Q16665 1/20 0.55
RORC P51449 1/20 0.52

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
SCHEMBL4558274 0.85 CYP19A1 (0.65) CYP19A1CYP3A4CYP3A5KCNA5RORC
SCHEMBL7685830 0.84 CYP19A1 (1.00) CYP19A1CYP3A4CYP3A5
SCHEMBL11632870 0.84 CYP19A1 (0.54) CYP19A1CYP3A4CYP3A5KCNA5CYP1A2
SCHEMBL27368720 0.82 CYP3A4 (0.86) CYP19A1CYP3A4CYP3A5KCNA5CYP1A2
SCHEMBL11631884 0.81 CYP19A1 (0.51) CYP19A1CYP3A4CYP3A5KCNA5CYP1A2
SCHEMBL9804417 0.81 CYP19A1 (0.55) CYP19A1CYP3A4CYP3A5RORC
SCHEMBL913343 0.80 CYP19A1 (0.79) CYP19A1CYP3A4CYP3A5KCNA5
SCHEMBL4473850 0.80 CYP19A1 (0.64) CYP19A1CYP3A4CYP3A5RORC
SCHEMBL19627972 0.79 CYP19A1 (0.57) CYP19A1CYP3A4CYP3A5KCNA5CYP1A2
SCHEMBL8986568 0.79 CYP19A1 (0.61) CYP19A1CYP3A4CYP3A5RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4116665-A Method of regulating the growth of aquatic weeds with pyridine derivatives ELI LILLY AND COMPANY (US) 1978-09-26 US claimed
US-8017620-B2 Dutpase inhibitors MEDIVIR AB (SE) 2011-09-13 US disclosed
US-20110021459-A1 DUTPASE INHIBITORS MEDIVIR AB (SE) 2011-01-27 US disclosed
US-7795270-B2 DUTPase inhibitors MEDIVIR AB (SE) 2010-09-14 US disclosed
US-20100075924-A1 DUTPASE INHIBITORS MEDIVIR AB (SE) 2010-03-25 US disclosed
US-20100075924-A1 DUTPASE INHIBITORS MEDIVIR AB (SE) 2010-03-25 US disclosed
US-7601702-B2 Dutpase Inhibitors MEDIVIR AB (SE) 2009-10-13 US disclosed
US-7601702-B2 Dutpase Inhibitors MEDIVIR AB (SE) 2009-10-13 US disclosed
US-7601702-B2 Dutpase Inhibitors MEDIVIR AB (SE) 2009-10-13 US disclosed
US-7531573-B2 potent, selective and safe inhibitors of the Ca2+-activated potassium channel CHILDREN'S MEDICAL CENTER CORPORATION (US) 2009-05-12 US disclosed
US-7531573-B2 potent, selective and safe inhibitors of the Ca2+-activated potassium channel CHILDREN'S MEDICAL CENTER CORPORATION (US) 2009-05-12 US disclosed
US-20080312183-A1 Dutpase Inhibitors MEDIVIR AB (SE) 2008-12-18 US disclosed
US-20080300216-A1 Dutpase Inhibitors MEDIVIR AB (SE) 2008-12-04 US disclosed
US-20080300216-A1 Dutpase Inhibitors MEDIVIR AB (SE) 2008-12-04 US disclosed
US-20080300216-A1 Dutpase Inhibitors MEDIVIR AB (SE) 2008-12-04 US disclosed
US-4116665-A Method of regulating the growth of aquatic weeds with pyridine derivatives ELI LILLY AND COMPANY (US) 1978-09-26 US 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 (4 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-20080300216-A1 Dutpase Inhibitors DUT, DHODH, POLR2H CYP19A1 2254/4885CYP3A4 1028/4885CYP3A5 201/4885
US-20080312183-A1 Dutpase Inhibitors DUT, DHODH, RNASEH1 CYP19A1 2569/4885CYP3A4 1149/4885CYP3A5 283/4885
US-20110021459-A1 DUTPASE INHIBITORS DUT, DHODH, NAT10 CYP19A1 2730/4885CYP3A4 1010/4885CYP3A5 207/4885
US-20100075924-A1 DUTPASE INHIBITORS DUT, DHODH, CCNO CYP19A1 2491/4885CYP3A4 1235/4885CYP3A5 273/4885

“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.