SCHEMBL3790754

SCHEMBL3790754

O=CNc1ncnc2c1c(-c1ccc(Cl)cc1)nn2C(=O)NCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CNR1 P21554 2/20 0.41
▸ SRC P12931 1/20 0.40
▸ VCP P55072 3/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CYP46A1 Q9Y6A2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ PSMC4 P43686 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ SCN2A Q99250 1/20 0.37
▸ SCN10A Q9Y5Y9 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
SCHEMBL3781508 0.84 SRC (0.58) SRCKMT2A
SCHEMBL13020475 0.79 NPSR1 (0.41) ALDH1A1KDM4EHTTCNR1SRC
SCHEMBL13020471 0.75 CNR1 (0.44) ALDH1A1CNR1SRCLMNAHPGD
SCHEMBL13019971 0.73 KDM4E (0.69) ALDH1A1KDM4EHTTSRCVCP
SCHEMBL13307728 0.71 CNR1 (0.58) ALDH1A1CNR1LMNAHPGDKMT2A
SCHEMBL3779241 0.70 SRC (0.55) ALDH1A1KDM4EHTTSRCKMT2A
SCHEMBL13019941 0.70 SRC (0.60) CNR1SRCKMT2A
SCHEMBL13019905 0.67 SRC (0.58) SRCKMT2A
SCHEMBL3777826 0.66 MAPT (0.41) ALDH1A1KDM4EHTTSRCCA1
SCHEMBL13307790 0.64 CNR1 (0.75) CNR1

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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 — — 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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B ALDH1A1 3475/4885KDM4E 4425/4885HTT 187/4885

“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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