SCHEMBL18257171

SCHEMBL18257171

Cc1cnc(C(=O)Nc2cc(OCCC3CCNCC3)cc3cccnc23)cn1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 11/20 0.59
▸ SIGMAR1 Q99720 11/20 0.59
▸ HTT P42858 4/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ HPGD P15428 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ HSD17B10 Q99714 3/20 0.46
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ MAPT P10636 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL21524552 0.89 TMEM97 (0.49) TMEM97SIGMAR1HTTALDH1A1HPGD
SCHEMBL18257170 0.89 TMEM97 (0.51) TMEM97SIGMAR1HTTALDH1A1HPGD
SCHEMBL18257165 0.88 ALDH1A1 (0.48) TMEM97SIGMAR1HTTALDH1A1HPGD
SCHEMBL18257200 0.85 HTT (0.49) TMEM97SIGMAR1HTTALDH1A1HPGD
SCHEMBL18257236 0.84 HTT (0.63) TMEM97SIGMAR1HTTALDH1A1HPGD
SCHEMBL18257169 0.84 HTT (0.63) TMEM97SIGMAR1HTTALDH1A1HPGD
SCHEMBL18257168 0.82 TMEM97 (0.68) TMEM97SIGMAR1HTTALDH1A1HPGD
SCHEMBL18257212 0.80 ALDH1A1 (0.69) TMEM97SIGMAR1HTTALDH1A1HPGD
SCHEMBL18249549 0.79 HTT (0.55) TMEM97SIGMAR1HTTALDH1A1HPGD
SCHEMBL18257163 0.78 ALDH1A1 (0.55) TMEM97SIGMAR1HTTALDH1A1HPGD

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-10457662-B2 Substituted amides for treating and preventing cancer THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-10-29 — — US disclosed
WO-2016187544-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-24 — — 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-10457662-B2 Substituted amides for treating and preventing cancer NQO1, NNT, SIRT1 TMEM97 4292/4885SIGMAR1 3919/4885HTT 3796/4885

“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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