SCHEMBL17172183

SCHEMBL17172183

C=CCC(O)(c1cncnc1)c1ccc(Oc2ccc(C#N)cc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.40
▸ POLB P06746 2/20 0.33
▸ PARP15 Q460N3 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ PARP2 Q9UGN5 1/20 0.33
▸ TTBK1 Q5TCY1 1/20 0.32
▸ TTBK2 Q6IQ55 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ IL18 Q14116 1/20 0.32
▸ SCN9A Q15858 2/20 0.32
▸ PGR P06401 1/20 0.31
▸ ALK Q9UM73 1/20 0.31
▸ CYP11B1 P15538 2/20 0.31

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
SCHEMBL17172174 0.85 CYP19A1 (0.40) CYP19A1CYP3A4CYP3A5
SCHEMBL17172178 0.76 CYP19A1 (0.42) CYP19A1POLBPARP15PARP10PARP2
SCHEMBL17157429 0.76 CYP19A1 (0.43) CYP19A1POLBPARP15PARP10PARP2
SCHEMBL17157361 0.75 CYP19A1 (0.38) CYP19A1CYP3A4CYP3A5
SCHEMBL17172172 0.73 ABL1 (0.33) RAB9ASCN9ACYP3A4
SCHEMBL17157524 0.70 CYP19A1 (0.46) CYP19A1CYP3A4CYP3A5
SCHEMBL17172182 0.69 CYP19A1 (0.41) CYP19A1TTBK1LMNASCN9ACYP3A4
SCHEMBL15584519 0.69 CYP17A1 (0.47) CYP19A1CYP3A4CYP3A5
SCHEMBL15006214 0.69 CYP19A1 (0.51) CYP19A1POLBPARP15PARP10PARP2
SCHEMBL17172180 0.68 CCR6 (0.38) RAB9ASCN9ACYP3A4

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-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
WO-2015160665-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-10-22 — — WO 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 63/4885POLB 3948/4885PARP15 4276/4885
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM CYP19A1 63/4885POLB 3948/4885PARP15 4276/4885

“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.

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