SCHEMBL2175124

SCHEMBL2175124

CC(=O)Nc1ccc2nc(C)ccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.67
RAB9A P51151 8/20 0.67
KDM4E B2RXH2 5/20 0.65
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
MAPT P10636 2/20 0.65
GLA P06280 1/20 0.65
TNNI3 P19429 1/20 0.65
TNNT2 P45379 1/20 0.65
TNNC1 P63316 1/20 0.65
RUNX1 Q01196 1/20 0.65
CBFB Q13951 1/20 0.65
POLB P06746 3/20 0.59
PABPC1 P11940 1/20 0.57
LDHA P00338 2/20 0.55
CYP1A2 P05177 1/20 0.50
KDM1A O60341 1/20 0.49
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL8355880 0.88 NPC1 (0.68) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL5189057 0.85 NPC1 (0.65) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL13609776 0.84 NPC1 (0.61) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL24894010 0.84 NPC1 (0.63) NPC1RAB9AKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL8353649 0.83 NPC1 (0.50) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL17432454 0.83 KDM4E (0.65) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL13594195 0.82 KDM4E (0.63) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL29728207 0.81 NPC1 (0.67) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL28787648 0.81 NPC1 (0.67) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL28623250 0.80 RAB9A (0.66) NPC1RAB9AKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023288015-A1 M6PR CELL SURFACE RECEPTOR BINDING COMPOUNDS AND CONJUGATES LYCIA THERAPEUTICS, INC. (US) 2023-01-19 WO disclosed
CN-109265451-B Butyrylcholinesterase selective inhibitor and preparation method and application thereof 中国药科大学 2022-07-15 CN disclosed
EP-2519522-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ArQule, Inc. (US) 2012-11-07 EP disclosed
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. (US) 2011-07-14 US disclosed
WO-2011082270-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE. INC. (US) 2011-07-07 WO disclosed
EP-1285651-B1 MELANIN CONCENTRATING HORMONE ANTAGONISTS TAKEDA PHARMACEUTICAL (JP) 2010-09-01 EP disclosed
US-6930185-B2 Melanin-concentrating hormone antagonist TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-16 US disclosed
US-20040077628-A1 Melanin-concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-22 US disclosed
EP-1285651-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2003-02-26 EP disclosed
EP-0975593-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-02-02 EP disclosed
WO-1998050358-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed
EP-0276842-B1 SILVER HALIDE PHOTOGRAPHIC MATERIAL FUJI PHOTO FILM CO., LTD. (JP) 1992-07-29 EP disclosed
US-5035993-A Quaternary ammonium salt nucleating agent FUJI PHOTO FILM CO., LTD. (JP) 1991-07-30 US disclosed
US-4877723-A EMULSION LAYER CONTAINING AN ALKYNYL-SUBSTITUTED HETEROCYCLIC QUATERNARY AMMONIUM SALT; DIRECT POSITIVES; REVERSAL FUJI PHOTO FILM CO., LTD. (JP) 1989-10-31 US disclosed
US-4859579-A Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1989-08-22 US disclosed
US-4828973-A DIRECT POSITIVES WITH REVERSAL PROPERTIES FUJI PHOTO FILM CO., LTD. (JP) 1989-05-09 US disclosed
EP-0276842-A2 Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1988-08-03 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 (2 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-20040077628-A1 Melanin-concentrating hormone antagonist MCHR1, MC1R, MCHR2 NPC1 1013/4885RAB9A 1132/4885KDM4E 2403/4885
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 NPC1 1758/4885RAB9A 2076/4885KDM4E 933/4885

“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.