SCHEMBL25910325

SCHEMBL25910325

CC(=N)c1ccc(CNC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ POLB P06746 4/20 0.61
▸ ALDH1A1 P00352 2/20 0.60
▸ HPGD P15428 4/20 0.60
▸ LMNA P02545 1/20 0.55
▸ NR3C1 P04150 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ PDE4D Q08499 1/20 0.49
▸ GAA P10253 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ WNT3A P56704 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ P2RY12 Q9H244 1/20 0.47
▸ TP53 P04637 1/20 0.47

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
SCHEMBL22892416 0.90 NPC1 (0.60) NPC1RAB9APOLBALDH1A1HPGD
SCHEMBL25910342 0.83 POLB (0.80) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL25910326 0.77 MAPK1 (0.64) NPC1RAB9APOLBALDH1A1HPGD
SCHEMBL14133157 0.76 POLB (0.73) NPC1RAB9APOLBALDH1A1HPGD
SCHEMBL25910323 0.74 CNR2 (0.61) RAB9AALDH1A1HPGDLMNAMAPT
Hydrochloric Acid SCHEMBL28546374 0.74 RAB9A (0.66) NPC1RAB9APOLBALDH1A1HPGD
SCHEMBL12057092 0.74 POLB (0.79) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL2859054 0.73 POLB (0.71) NPC1RAB9APOLBALDH1A1HPGD
SCHEMBL25910314 0.73 KLKB1 (0.55) NPC1RAB9AHPGDHDAC1
Hydrochloric Acid SCHEMBL6312908 0.72 RAB9A (0.57) NPC1RAB9APOLBHPGDLMNA

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-20230234927-A1 PROCESSES FOR PREPARING PLASMA KALLIKREIN INHIBITORS REZOLUTE INC (US) 2023-07-27 — — 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-20230234927-A1 PROCESSES FOR PREPARING PLASMA KALLIKREIN INHIBITORS C1R, C1S, KLKB1 NPC1 1985/4885RAB9A 2525/4885POLB 1344/4885

“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