SCHEMBL1663580

SCHEMBL1663580

Nc1ccc(-c2cc3cc(N)ccc3[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.55
KEAP1 Q14145 1/20 0.55
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
KDM4E B2RXH2 5/20 0.54
MEN1 O00255 5/20 0.54
MAPT P10636 5/20 0.54
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 2/20 0.54
GFER P55789 2/20 0.54
HSD17B10 Q99714 1/20 0.54
CYP1A1 P04798 2/20 0.50
PDE10A Q9Y233 1/20 0.49
CYP19A1 P11511 3/20 0.49
RIPK1 Q13546 1/20 0.49
LMNA P02545 1/20 0.49
F2 P00734 1/20 0.46
CYP1A2 P05177 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
SCHEMBL29513520 0.98 CYP2A6 (0.57) CYP2A6KEAP1NPC1RAB9AKDM4E
SCHEMBL28230938 0.89 RAB9A (0.65) CYP2A6KEAP1NPC1RAB9AKDM4E
SCHEMBL17199124 0.89 CYP1A1 (0.60) CYP2A6KEAP1NPC1RAB9AKDM4E
SCHEMBL17199123 0.89 PDE10A (0.63) CYP2A6KEAP1NPC1RAB9AKDM4E
SCHEMBL31548558 0.89 NPC1 (0.64) CYP2A6KEAP1NPC1RAB9AKDM4E
SCHEMBL1465037 0.89 NPC1 (0.64) CYP2A6KEAP1NPC1RAB9AKDM4E
SCHEMBL10172983 0.87 CYP2A6 (0.63) CYP2A6KEAP1NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL11003375 0.87 NPC1 (0.62) CYP2A6KEAP1NPC1RAB9AKDM4E
SCHEMBL10173132 0.85 CYP19A1 (0.70) NPC1RAB9AKDM4EMEN1MAPT
SCHEMBL10222638 0.85 NPC1 (0.46) CYP2A6KEAP1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197082-A Anthraquinone-based diamine monomer, magenta intrinsic polyimide derived from same and preparation method thereof 上海交通大学 2022-10-18 CN claimed
US-20240207487-A1 VIABLE BIOENGINEERED ALLOGENEIC CELLULARIZED SKIN CONSTRUCTS THAT SECRETE SOLUBLE FACTORS ASSOCIATED WITH REGENERATIVE WOUND HEALING GOLDMAN SACHS BANK USA, AS ADMINISTRATIVE AGENT 2024-06-27 US disclosed
EP-4351603-A1 VIABLE BIOENGINEERED ALLOGENEIC CELLULARIZED SKIN CONSTRUCTS THAT SECRETE SOLUBLE FACTORS ASSOCIATED WITH REGENERATIVE WOUND HEALING Stratatech Corporation (US) 2024-04-17 EP disclosed
WO-2022261248-A1 VIABLE BIOENGINEERED ALLOGENEIC CELLULARIZED SKIN CONSTRUCTS THAT SECRETE SOLUBLE FACTORS ASSOCIATED WITH REGENERATIVE WOUND HEALING STRATATECH CORPORATION (US) 2022-12-15 WO disclosed
US-11053243-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2021-07-06 US disclosed
US-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2020-08-20 US disclosed
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2019-05-02 US disclosed
CN-107383372-B Polyimide film with pyrimidine side group and preparation method thereof 江汉大学 2018-07-03 CN disclosed
CN-107383372-A Polyimide film with pyrimidine side base and preparation method thereof 江汉大学 2017-11-24 CN disclosed
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-8871759-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 US disclosed
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 US disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed
US-5733762-A CONJUGATED GLYCOPROTEINS FOR DRUG DELIVERY I.D.M. IMMUNO-DESIGNED MOLECULES (FR) 1998-03-31 US disclosed
US-5595897-A CATIONIC POLYMERS I.D.M. IMMUNO-DESIGNED MOLECULES (FR) 1997-01-21 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 (6 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-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 CYP2A6 1242/4885KEAP1 38/4885NPC1 141/4885
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL CYP2A6 4210/4885KEAP1 2428/4885NPC1 4635/4885
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 CYP2A6 1242/4885KEAP1 38/4885NPC1 141/4885
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 CYP2A6 1242/4885KEAP1 38/4885NPC1 141/4885
US-11053243-B2 Inhibitors of hepatitis C virus replication HAVCR2, HCCS, EIF2AK2 CYP2A6 1242/4885KEAP1 38/4885NPC1 141/4885
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 CYP2A6 1242/4885KEAP1 38/4885NPC1 141/4885

“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.