SCHEMBL1268914

SCHEMBL1268914

CCCOc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
CYP2D6 P10635 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KCNA5 P22460 2/20 0.43
KCNH2 Q12809 1/20 0.43
GABRA5 P31644 2/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42

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
SCHEMBL29582311 1.00 NPC1 (0.44) NPC1CYP2D6CYP2C19CYP1A2HPGD
Ammonia Solution, Strong SCHEMBL7212028 0.98 NPC1 (0.43) NPC1CYP2D6CYP2C19CYP1A2HPGD
SCHEMBL6803 0.89 CYP2C19 (0.56) NPC1CYP2D6CYP2C19CYP1A2HPGD
SCHEMBL29379587 0.89 CYP2C19 (0.56) NPC1CYP2D6CYP2C19CYP1A2HPGD
SCHEMBL423447 0.88 CYP2D6 (0.50) NPC1CYP2D6CYP2C19CYP1A2RAB9A
SCHEMBL2276388 0.88 TSHR (0.43) NPC1CYP1A2HPGDRAB9ASMN1; SMN2
SCHEMBL4190714 0.86 KDM4E (0.50) NPC1CYP2D6CYP2C19CYP1A2HPGD
SCHEMBL4885285 0.86 SOAT1 (0.49) NPC1CYP2D6CYP2C19CYP1A2RAB9A
SCHEMBL21494430 0.86 SOAT1 (0.49) NPC1CYP2D6CYP2C19CYP1A2RAB9A
SCHEMBL675902 0.86 SOAT1 (0.49) NPC1CYP2D6CYP2C19CYP1A2RAB9A

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 141 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286913-A1 INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF Gacter Inc. (US) 2023-09-14 US claimed
CN-104311580-A One-dimensional zinc-containing polymer and preparation method thereof ZHANG JUNFENG 2015-01-28 CN claimed
CN-104311581-A One-dimensional zinc-containing polymer and preparation method thereof ZHANG JUNFENG 2015-01-28 CN claimed
CN-103664606-A Preparation methods of flurbiprofen axetil compound GUANGDONG JIABO PHARMACEUTICAL CO LTD 2014-03-26 CN claimed
CN-1132832-C Prepn process of 3-methyl-4 [(3-methoxy) propoxy]2-radical-methyl-thio-benzimidazole SHANDONG XINHUA PHARMACEUTICAL (CN) 2003-12-31 CN claimed
CN-1370771-A Prepn process of 3-methyl-4 [(3-methoxy) propoxy]2-radical-methyl-thio-benzimidazole SHANDONG XINHUA PHARMACEUTICAL (CN) 2002-09-25 CN claimed
EP-0204535-B1 N-FLUOROPYRIDINIUM SALT AND PROCESS FOR PREPARING SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-08-19 EP claimed
JP-10167908-A None JP disclosed
EP-4318630-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS SECONDARY BATTERY ASAHI CHEMICAL IND (JP) 2025-10-22 EP disclosed
US-20250122172-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE LLC 2025-04-17 US disclosed
US-12199280-B2 Non-aqueous secondary battery and non-aqueous electrolyte ASAHI KASEI KABUSHIKI KAISHA (JP) 2025-01-14 US disclosed
EP-4415105-A2 NON-AQUEOUS SECONDARY BATTERY AND NON-AQUEOUS ELECTROLYTE Asahi Kasei Kabushiki Kaisha (JP) 2024-08-14 EP disclosed
US-20240178452-A1 Nonaqueous Electrolyte Solution and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2024-05-30 US disclosed
US-4996320-A Thyroid inhibitors SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-02-26 US disclosed
CN-1044812-A The preparation method of chloroaniline derivative GLAXO GROUP LTD (GB) 1990-08-22 CN disclosed
CN-87101830-A DICHLOROANILINE DERIVATIVES 1987-09-09 CN disclosed
CN-86102700-A The preparation method of pyridazinone derivative and desinsection thereof, kill mite, nematicide, fungicide composition 1986-12-17 CN disclosed
EP-0204535-A1 N-fluoropyridinium salt and process for preparing same SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-12-10 EP disclosed
CN-85109303-A The 2-phenylpyran is the preparation method of [2,3-b] pyridine compounds and their also 1986-08-20 CN disclosed
EP-0066628-B1 PYRIDINE DERIVATIVES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-04-02 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-20250122172-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D NPC1 4405/4885CYP2D6 1023/4885CYP2C19 624/4885
US-12199280-B2 Non-aqueous secondary battery and non-aqueous electrolyte CLK2, TYK2, CLK3 NPC1 3125/4885CYP2D6 4271/4885CYP2C19 2909/4885
US-20230286913-A1 INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF NOS1, NOS3, NOS2 NPC1 656/4885CYP2D6 360/4885CYP2C19 113/4885

“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.