SCHEMBL6946115

SCHEMBL6946115

N#CC1CN1C(=O)Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ DPP4 P27487 5/20 0.47
▸ POLB P06746 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ GRIN2B Q13224 2/20 0.46
▸ DPP8 Q6V1X1 2/20 0.45
▸ DPP7 Q9UHL4 1/20 0.45
▸ CTSL P07711 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ CTSS P25774 1/20 0.45
▸ CTSC P53634 1/20 0.45
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL6949076 0.84 KMT2A (0.51) NPC1RAB9ASMN1; SMN2DPP4GRIN2B
SCHEMBL6954014 0.83 GRIN2B (0.50) NPC1RAB9APOLBGRIN2B
SCHEMBL6952821 0.82 NPC1 (0.52) NPC1RAB9A
SCHEMBL6947504 0.80 CA2 (0.52) SMN1; SMN2
SCHEMBL6954818 0.80 GAA (0.53) NPC1RAB9ADPP4POLBDPP8
SCHEMBL11377789 0.79 DPP4 (0.50) DPP4DPP8DPP7CTSLCTSB
SCHEMBL28651312 0.79 POLB (0.45) NPC1RAB9ASMN1; SMN2DPP4POLB
SCHEMBL11373157 0.78 PREP (0.49) NPC1RAB9ADPP4POLBDPP7
SCHEMBL6957288 0.78 MEN1 (0.52) NPC1RAB9ASMN1; SMN2TP53CYP2C19
SCHEMBL6957366 0.77 PREP (0.53) DPP4DPP8DPP7CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-221448463-U Display apparatus 海信视像科技股份有限公司 2024-07-30 — — CN disclosed
EP-1027041-B1 NOVEL CYANOAZIRIDINES FOR TREATING CANCER AMPLIMED INC (US) 2003-10-22 — — EP disclosed
US-20030129222-A1 Administering to a cancer patient a therapeutically effective amount of imexon or derivative in combination with one or more lipids to treat the cancer VALLEY VENTURES III, L.P. 2003-07-10 — — US disclosed
US-6297230-B1 N-CARBAMOYL-SUBSTITUTED AMPLIMED, INC. 2001-10-02 — — 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-20030129222-A1 Administering to a cancer patient a therapeutically effective amount of imexon or derivative in combination with one or more lipids to treat the cancer ABHD16A, PNLIP, LIPA NPC1 33/4885RAB9A 978/4885SMN1; SMN2 371/4885

“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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