SCHEMBL17172182

SCHEMBL17172182

CCC(O)(c1cncnc1)c1ccc(Oc2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.41
▸ SCN9A Q15858 5/20 0.36
▸ AHR P35869 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP3A5 P20815 1/20 0.36
▸ TTBK1 Q5TCY1 1/20 0.35
▸ LIPE Q05469 1/20 0.35
▸ LTA4H P09960 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CACNA1H O95180 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ MMP14 P50281 1/20 0.34

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
SCHEMBL17172180 0.89 CCR6 (0.38) SCN9ACYP3A4KCNH2SCN5AMMP2
SCHEMBL17157524 0.86 CYP19A1 (0.46) CYP19A1CYP3A4CYP3A5
SCHEMBL17172184 0.84 CYP19A1 (0.37) CYP19A1
SCHEMBL17157428 0.81 CYP3A4 (0.41) CYP19A1SCN9AAHRCYP3A4CYP3A5
SCHEMBL17172199 0.79 RAB9A (0.38) CYP19A1LIPELMNA
SCHEMBL17172181 0.79 CYP19A1 (0.39) CYP19A1SCN9AAHRCYP3A4CYP3A5
SCHEMBL17172198 0.78 CYP19A1 (0.39) CYP19A1CYP3A4LIPELTA4H
SCHEMBL20596700 0.77 CYP3A4 (0.45) CYP3A4SCN5A
SCHEMBL17172173 0.77 CYP19A1 (0.50) CYP19A1SCN9ACYP3A4LIPELTA4H
SCHEMBL17157316 0.77 CYP3A4 (0.45) CYP3A4SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10167300-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2019-01-01 — — US disclosed
US-9944664-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-04-17 — — US disclosed
US-9944664-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-04-17 — — US disclosed
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2015-10-15 — — US disclosed
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2015-10-15 — — 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 (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-10167300-B2 Metalloenzyme inhibitor compounds as fungicides GPX1, POR, MGAM CYP19A1 63/4885SCN9A 988/4885AHR 1137/4885
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM CYP19A1 63/4885SCN9A 988/4885AHR 1137/4885

“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.

Send feedback