SCHEMBL21524544

SCHEMBL21524544

C=Nc1c(/C=C\C)cc(OCCC2CCN(C(=O)OC(C)(C)C)CC2)cc1NC(=O)c1cnc(C)cn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CHEK2 O96017 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ GPR119 Q8TDV5 9/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ TP53 P04637 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ STS P08842 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
SCHEMBL18257200 0.79 HTT (0.49) KMT2AMAPTMEN1TSHRSMN1; SMN2
SCHEMBL18249534 0.70 SCN9A (0.42) KMT2AMEN1CHEK2SCN9AGPR119
SCHEMBL18257194 0.69 ALDH1A1 (0.47) KMT2AMAPTMEN1SMN1; SMN2CHEK2
SCHEMBL4949285 0.66 GPR119 (0.60) CHEK2SCN9AGPR119FAAH
SCHEMBL31752479 0.65 CHEK2 (0.56) CHEK2GPR119FAAH
SCHEMBL9305332 0.65 GPR119 (0.55) CHEK2GPR119
SCHEMBL20590907 0.64 GPR119 (0.58) CHEK2SCN9AGPR119FAAH
SCHEMBL4322579 0.64 GPR119 (0.65) KMT2AMEN1CHEK2GPR119HPGD
SCHEMBL2158159 0.64 GPR119 (0.65) CHEK2GPR119KDM4EPKMCSF1R
SCHEMBL1295724 0.64 GPR119 (0.62) GPR119FAAH

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-10457662-B2 Substituted amides for treating and preventing cancer THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-10-29 — — 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-10457662-B2 Substituted amides for treating and preventing cancer NQO1, NNT, SIRT1 KMT2A 584/4885MAPT 3579/4885MEN1 1303/4885

“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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