SCHEMBL18257200

SCHEMBL18257200

Cc1cnc(C(=O)Nc2cc(OCCC3CCN(C(=O)OC(C)(C)C)CC3)cc3cccnc23)cn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ TMEM97 Q5BJF2 8/20 0.45
▸ SIGMAR1 Q99720 8/20 0.45
▸ CHEK2 O96017 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ GPR119 Q8TDV5 4/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ SCN9A Q15858 1/20 0.40

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
SCHEMBL18249534 0.91 SCN9A (0.42) HTTALDH1A1MEN1KMT2ATMEM97
SCHEMBL18257194 0.90 ALDH1A1 (0.47) HTTSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL18249549 0.81 HTT (0.55) HTTSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL18249550 0.80 CHEK2 (0.50) CHEK2GPR119SCN9A
SCHEMBL21524552 0.80 TMEM97 (0.49) HTTSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL18249553 0.79 ALDH1A1 (0.46) HTTSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL21524544 0.79 KMT2A (0.43) HTTSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL18257247 0.77 GPR119 (0.48) CHEK2GPR119SCN9A
SCHEMBL18257163 0.77 ALDH1A1 (0.55) HTTSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL18257212 0.76 ALDH1A1 (0.69) HTTSMN1; SMN2ALDH1A1HPGDMEN1

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 HTT 3796/4885SMN1; SMN2 3289/4885ALDH1A1 373/4885

“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.

Send feedback