SCHEMBL18070735

SCHEMBL18070735

CCOC(=O)C(=O)c1ccc2cnn(C)c2c1CBr

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 6/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ TSHR P16473 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ NPSR1 Q6W5P4 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ S1PR4 O95977 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ PDE1C Q14123 1/20 0.32
▸ STAT1 P42224 1/20 0.32

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
SCHEMBL21123278 0.90 KMT2A (0.34) KMT2AMEN1ALDH1A1HPGDRAB9A
SCHEMBL18070742 0.85 KMT2A (0.36) KMT2AMEN1ALDH1A1HPGDRAB9A
SCHEMBL18070219 0.81 MAPT (0.36) KMT2AALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL19862053 0.79 MEN1 (0.35) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL21123073 0.77 TP53 (0.40) KMT2AMEN1RAB9AMAPTPOLB
SCHEMBL19862056 0.76 NPC1 (0.36) KMT2AMEN1ALDH1A1RAB9AMAPT
SCHEMBL18070750 0.75 MEN1 (0.33) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL18070734 0.73 PLK1 (0.45) KMT2AMEN1ALDH1A1HPGDRAB9A
SCHEMBL31750045 0.72 KDM4E (0.42) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL21122874 0.72 MEN1 (0.39) KMT2AMEN1ALDH1A1HPGDRAB9A

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-20180044302-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2018-02-15 — — US disclosed
WO-2016145153-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-09-15 — — 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-20180044302-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 KMT2A 4177/4885MEN1 2651/4885ALDH1A1 1342/4885

“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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