SCHEMBL21162605

SCHEMBL21162605

CN1CCN(CCCn2cnc3c2C(=O)N(C)C(O)N3C)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TLR7 Q9NYK1 7/20 0.36
▸ TLR9 Q9NR96 2/20 0.36
▸ DRD2 P14416 4/20 0.36
▸ DRD3 P35462 3/20 0.36
▸ DRD4 P21917 2/20 0.36
▸ HTR1A P08908 5/20 0.35
▸ HTR7 P34969 2/20 0.34
▸ FPR3 P25089 1/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ HTR6 P50406 1/20 0.33

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
SCHEMBL19472287 0.82 AMPD2 (0.38) POLBKDM4E
SCHEMBL20161363 0.81 MAPK1 (0.40) POLBKDM4ETP53HSD17B10
SCHEMBL23416912 0.75 TNF (0.50) —
SCHEMBL22085071 0.72 SMN1; SMN2 (0.46) POLBKDM4EHSD17B10
SCHEMBL21766238 0.71 ADORA2B (0.58) POLBMAPTHTR7HTR6
SCHEMBL23974592 0.71 TSHR (0.57) POLBKDM4E
SCHEMBL21217570 0.68 MAPK1 (0.36) POLBMAPTTP53
SCHEMBL23416911 0.67 PORCN (0.49) POLBTP53
SCHEMBL21218064 0.67 RAB9A (0.44) POLBMAPTKDM4ETP53HSD17B10
SCHEMBL21218027 0.67 ALDH1A1 (0.40) POLBMAPTKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190201414-A1 INHIBITOR OF HEME DEGRADATION FOR USE TO IMPROVE ANTIBIOTIC TREATMENT OF MYCOBACTERIUM TUBERCULOSIS INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2019-07-04 — — 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 (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-20190201414-A1 INHIBITOR OF HEME DEGRADATION FOR USE TO IMPROVE ANTIBIOTIC TREATMENT OF MYCOBACTERIUM TUBERCULOSIS INFECTION HMOX1, HMOX2, PPOX POLB 1481/4885MAPT 1792/4885KDM4E 2238/4885

“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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