SCHEMBL31071483

SCHEMBL31071483

COc1ccc(-c2ccncc2C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 1/20 0.49
▸ KDM4E B2RXH2 5/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ PRKCQ Q04759 2/20 0.47
▸ CYP11B1 P15538 4/20 0.47
▸ CYP11B2 P19099 4/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ RXFP1 Q9HBX9 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ SLC22A12 Q96S37 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46

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
SCHEMBL19243792 0.89 SLC22A12 (0.50) RPS6KA3KDM4EMEN1KMT2AALDH1A1
SCHEMBL17541456 0.87 CYP11B2 (0.62) PRKCQCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL3990856 0.81 LRRK2 (0.54) RPS6KA3KDM4EPRKCQCYP11B1CYP11B2
SCHEMBL17116602 0.80 CYP1A2 (0.42) RPS6KA3KDM4ECYP11B1CYP11B2CYP1A2
SCHEMBL28185544 0.78 CYP11B1 (0.54) KDM4EMEN1KMT2AALDH1A1PRKCQ
SCHEMBL17116727 0.78 HTT (0.42) RPS6KA3CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL6626450 0.78 RPS6KA3 (0.47) RPS6KA3KDM4EALDH1A1CYP11B1CYP11B2
SCHEMBL15997944 0.78 SLC2A1 (0.50) KDM4EALDH1A1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL1146097 0.78 CYP1A2 (0.57) RPS6KA3KDM4EMEN1KMT2AALDH1A1
SCHEMBL17120702 0.77 MAPT (0.50) MEN1KMT2AALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12071407-B1 6-(4-hydroxyphenyl)-2-(2-ethoxyethoxy)-4-(4-methoxyphenyl)nicotinonitrile as an antimicrobial compound King Faisal University (SA) 2024-08-27 — — 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 (1 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-12071407-B1 6-(4-hydroxyphenyl)-2-(2-ethoxyethoxy)-4-(4-methoxyphenyl)nicotinonitrile as an antimicrobial compound NAPRT, PNN, NAMPT RPS6KA3 1684/4885KDM4E 1745/4885MEN1 1953/4885

“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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