SCHEMBL27178053

SCHEMBL27178053

CC(=NNC(=O)c1cccc(Cl)c1)c1ccccn1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.75
▸ AGTR1 P30556 7/20 0.75
▸ OPRK1 P41145 7/20 0.75
▸ L3MBTL1 Q9Y468 1/20 0.75
▸ RAB9A P51151 9/20 0.74
▸ KMT2A Q03164 5/20 0.74
▸ MEN1 O00255 3/20 0.74
▸ GAA P10253 5/20 0.65
▸ HSP90AA1 P07900 2/20 0.61
▸ HKDC1 Q2TB90 1/20 0.61
▸ POLB P06746 1/20 0.59
▸ MAPT P10636 1/20 0.58
▸ PKM P14618 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ MITF O75030 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57

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
SCHEMBL27178045 1.00 NPC1 (0.75) NPC1AGTR1OPRK1L3MBTL1RAB9A
SCHEMBL30826110 1.00 NPC1 (0.75) NPC1AGTR1OPRK1L3MBTL1RAB9A
SCHEMBL27178190 0.86 NPC1 (0.76) NPC1AGTR1OPRK1L3MBTL1RAB9A
SCHEMBL27178186 0.86 NPC1 (0.76) NPC1AGTR1OPRK1L3MBTL1RAB9A
SCHEMBL30826068 0.86 NPC1 (0.76) NPC1AGTR1OPRK1L3MBTL1RAB9A
SCHEMBL27178229 0.86 NPC1 (1.00) NPC1AGTR1OPRK1L3MBTL1RAB9A
SCHEMBL27178221 0.86 NPC1 (1.00) NPC1AGTR1OPRK1L3MBTL1RAB9A
SCHEMBL30826096 0.85 NPC1 (1.00) NPC1AGTR1OPRK1L3MBTL1RAB9A
SCHEMBL30826095 0.85 NPC1 (0.77) NPC1AGTR1OPRK1L3MBTL1RAB9A
SCHEMBL10801738 0.85 NPC1 (0.77) NPC1AGTR1OPRK1L3MBTL1RAB9A

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
EP-4580403-A2 APYRASE INHIBITORS Texas Crop Science, Inc. (US) 2025-07-09 — — EP claimed
US-20240101510-A1 APYRASE INHIBITORS TEXAS CROP SCIENCE, INC. 2024-03-28 — — US claimed
WO-2024050040-A2 APYRASE INHIBITORS TEXAS CROP SCIENCE (US) 2024-03-07 — — WO claimed
US-20240101510-A1 APYRASE INHIBITORS TEXAS CROP SCIENCE, INC. 2024-03-28 — — 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-20240101510-A1 APYRASE INHIBITORS APEH, DPEP1, PON1 NPC1 2564/4885AGTR1 865/4885OPRK1 4716/4885

“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