SCHEMBL20746319

SCHEMBL20746319

Cn1ccnc1C(=O)C=Cc1ccc(CC(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 7/20 0.40
▸ LMNA P02545 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ MAOB P27338 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MAPT P10636 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ NSD2 O96028 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GRK2 P25098 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37

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
SCHEMBL20746318 1.00 TBXAS1 (0.40) TBXAS1LMNACYP1A2MAOBKMT2A
SCHEMBL20754708 0.86 MAOB (0.38) TBXAS1LMNACYP1A2MAOBKMT2A
SCHEMBL20746446 0.84 KMT2A (0.53) LMNACYP1A2KMT2AMEN1CYP2C19
SCHEMBL20746448 0.84 KMT2A (0.53) LMNACYP1A2KMT2AMEN1CYP2C19
SCHEMBL28351393 0.83 MAPT (0.54) LMNACYP1A2MAOBKMT2AMEN1
SCHEMBL28247193 0.83 MAPT (0.54) LMNACYP1A2MAOBKMT2AMEN1
SCHEMBL28410857 0.81 MAOB (0.50) CYP1A2MAOBKMT2AMEN1CYP3A4
SCHEMBL28347942 0.81 MAOB (0.49) LMNACYP1A2MAOBKMT2AUSP2
SCHEMBL28413016 0.81 MAOB (0.49) LMNACYP1A2MAOBKMT2AUSP2
SCHEMBL28404528 0.81 TNFRSF1A (0.53) LMNAMAOBMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200385374-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF TOLEDO (US) 2020-12-10 — — US disclosed
WO-2019036607-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF TOLEDO (US) 2019-02-21 — — WO 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-20200385374-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME HDAC1, HDAC8, HDAC2 TBXAS1 1657/4885LMNA 2343/4885CYP1A2 3217/4885

“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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