SCHEMBL30006672

SCHEMBL30006672

Nc1nc(Cl)ccc1NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
MAOB P27338 2/20 0.50
MAPKAPK2 P49137 1/20 0.50
PLAU P00749 2/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
P2RX7 Q99572 1/20 0.48
MGLL Q99685 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
TRPV1 Q8NER1 1/20 0.46
CASP3 P42574 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL7981351 1.00 NPC1 (0.56) NPC1RAB9APOLBSMN1; SMN2MAOB
SCHEMBL30030552 0.87 HTT (0.55) NPC1RAB9APOLBSMN1; SMN2MAPKAPK2
SCHEMBL1705538 0.84 TACR3 (0.54) NPC1RAB9APOLBSMN1; SMN2MAOB
SCHEMBL550513 0.83 NPC1 (0.56) NPC1RAB9APOLBSMN1; SMN2MAOB
SCHEMBL29683150 0.82 NPC1 (0.51) NPC1RAB9APOLBSMN1; SMN2MAOB
SCHEMBL27181823 0.81 NPC1 (0.50) NPC1RAB9APOLBSMN1; SMN2MAOB
SCHEMBL3230293 0.81 NPC1 (0.59) NPC1RAB9APOLBSMN1; SMN2MAOB
SCHEMBL3782118 0.78 NPC1 (0.68) NPC1RAB9APOLBSMN1; SMN2MAOB
SCHEMBL3811403 0.78 NPC1 (0.68) NPC1RAB9APOLBSMN1; SMN2MAOB
SCHEMBL30207803 0.78 NPC1 (0.68) NPC1RAB9APOLBSMN1; SMN2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637468-B2 Substituted [1,2,4]triazolo[4,3-b]pyridazines as GABAA receptor modulators Shanghai Simr Biotechnology Co., Ltd. (CN) 2026-05-26 US disclosed
EP-4079734-B1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF SHANGHAI SIMR BIOTECHNOLOGY CO LTD (CN) 2025-09-17 EP disclosed
EP-4562009-A1 NOVEL COMPOUNDS AC Immune SA (CH) 2025-06-04 EP disclosed
US-20240101563-A1 NOVEL COMPOUNDS AC IMMUNE SA (CH) 2024-03-28 US disclosed
WO-2024023266-A1 NOVEL COMPOUNDS AC IMMUNE SA (CH) 2024-02-01 WO disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
EP-4079734-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2022-10-26 EP 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 (3 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-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF ABCG2, CYP4F8, CYP3A5 NPC1 1320/4885RAB9A 4055/4885POLB 3160/4885
US-12637468-B2 Substituted [1,2,4]triazolo[4,3-b]pyridazines as GABAA receptor modulators GABRA6, GABRA1, GABRB1 NPC1 357/4885RAB9A 3820/4885POLB 3951/4885
US-20240101563-A1 NOVEL COMPOUNDS NLRP3, NOD1, NLRP1 NPC1 165/4885RAB9A 2563/4885POLB 4448/4885

“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.