SCHEMBL21378592

SCHEMBL21378592

CC1CN(c2ccc(C(C)NC(=O)c3cc4ccccn4n3)cc2)CCO1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.46
▸ NPC1 O15118 5/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ PHGDH O43175 3/20 0.43
▸ ACACB O00763 5/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 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
SCHEMBL21378588 1.00 TP53 (0.46) TP53NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL21378555 0.89 NPC1 (0.52) TP53NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL21378557 0.89 NPC1 (0.52) TP53NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL21378505 0.84 PHGDH (0.55) TP53NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL21378508 0.84 PHGDH (0.55) TP53NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL21396337 0.83 MAPT (0.62) TP53NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL21378434 0.82 TP53 (0.49) TP53NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL21378435 0.82 TP53 (0.49) TP53NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL21378462 0.80 TP53 (0.56) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21378466 0.80 TP53 (0.56) TP53NPC1RAB9ASMN1; SMN2ALDH1A1

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-11370758-B2 IDO-TDO dual inhibitor and related methods of use CMG PHARMACEUTICAL CO., LTD. (KR) 2022-06-28 — — US disclosed
US-20190292150-A1 IDO-TDO DUAL INHIBITOR AND RELATED METHODS OF USE CMG PHARMACEUTICAL CO., LTD. (KR) 2019-09-26 — — 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 (2 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-20190292150-A1 IDO-TDO DUAL INHIBITOR AND RELATED METHODS OF USE IDO1, IDO2, TDO2 TP53 4040/4885NPC1 2627/4885RAB9A 2763/4885
US-11370758-B2 IDO-TDO dual inhibitor and related methods of use IDO1, IDO2, TDO2 TP53 4040/4885NPC1 2627/4885RAB9A 2763/4885

“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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