SCHEMBL21378435

SCHEMBL21378435

CC(NC(=O)c1cc2ccccn2n1)c1ccc(N2CCNCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 9/20 0.49
▸ PHGDH O43175 3/20 0.46
▸ NPC1 O15118 6/20 0.45
▸ RAB9A P51151 6/20 0.45
▸ MAPT P10636 5/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ PKM P14618 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD3 P35462 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
SCHEMBL21378434 1.00 TP53 (0.49) TP53PHGDHNPC1RAB9AMAPT
SCHEMBL21378508 0.90 PHGDH (0.55) TP53PHGDHNPC1RAB9AMAPT
SCHEMBL21378505 0.90 PHGDH (0.55) TP53PHGDHNPC1RAB9AMAPT
SCHEMBL21378555 0.89 NPC1 (0.52) TP53PHGDHNPC1RAB9AMAPT
SCHEMBL21378557 0.89 NPC1 (0.52) TP53PHGDHNPC1RAB9AMAPT
SCHEMBL21378462 0.84 TP53 (0.56) TP53NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL21378466 0.84 TP53 (0.56) TP53NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL21378531 0.83 TP53 (0.68) TP53NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL21378528 0.83 TP53 (0.68) TP53NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL21378477 0.82 LMNA (0.47) TP53PHGDHNPC1MAPTSMN1; SMN2

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 4040/4885PHGDH 1200/4885NPC1 2627/4885
US-11370758-B2 IDO-TDO dual inhibitor and related methods of use IDO1, IDO2, TDO2 TP53 4040/4885PHGDH 1200/4885NPC1 2627/4885

“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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