SCHEMBL218892

SCHEMBL218892

Nc1ccccc1-c1nc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 1.00
RAB9A P51151 14/20 1.00
ALDH1A1 P00352 12/20 1.00
SMN1; SMN2 Q16637 10/20 1.00
KDM4E B2RXH2 9/20 1.00
HPGD P15428 7/20 1.00
HSD17B10 Q99714 6/20 1.00
MAPT P10636 5/20 1.00
NPSR1 Q6W5P4 3/20 1.00
GAA P10253 3/20 1.00
GLA P06280 1/20 1.00
CDK1 P06493 1/20 0.66
CDK2 P24941 1/20 0.66
MKNK1 Q9BUB5 1/20 0.66
MKNK2 Q9HBH9 1/20 0.66
TP53 P04637 4/20 0.64
PKM P14618 3/20 0.64
ABCB11 O95342 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
GPR55 Q9Y2T6 1/20 0.64

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
SCHEMBL29424535 1.00 NPC1 (1.00) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL28254328 0.88 NPC1 (0.78) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL11857261 0.86 NPC1 (0.76) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL227743 0.86 NPC1 (0.78) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL15557394 0.85 SMN1; SMN2 (1.00) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL11284874 0.83 ALDH1A1 (0.71) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL28118423 0.83 ALDH1A1 (0.71) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL28132179 0.83 ALDH1A1 (0.71) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL11284879 0.83 GAA (0.73) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL221334 0.82 ALDH1A1 (0.69) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114213338-B preparation method of pH sensing compound and preparation method of metal coating piece 深圳市质量安全检验检测研究院 2023-12-22 CN claimed
CN-117024431-A Dihydrobenzimidazole quinazoline derivative fluorescent probe and preparation method and application thereof 河南理工大学 2023-11-10 CN claimed
CN-113101901-B Preparation method and application of ferromanganese magnetic graphene oxide lead ion imprinting material 湖北省烟草科学研究院 2023-06-06 CN claimed
US-11319328-B2 4β-amino substituted podophyllotoxin derivative and preparation method therefor and use thereof Tang, YaJie 2022-05-03 US claimed
CN-114213338-A Method for preparing pH sensing compound and method for preparing metal coating piece 深圳市质量安全检验检测研究院 2022-03-22 CN claimed
CN-110615802-B Benzimidazole quinazoline derivative and preparation method and application thereof 江苏师范大学 2022-03-15 CN claimed
CN-108285455-B 4 beta-amino substituted podophyllotoxin derivative and preparation method and application thereof 汤亚杰 2022-02-08 CN claimed
CN-113101901-A Preparation method and application of ferromanganese magnetic graphene oxide lead ion imprinted material 湖北省烟草科学研究院 2021-07-13 CN claimed
US-20210140052-A1 ELECTROLESS COPPER PLATING AND COUNTERACTING PASSIVATION ROHM AND HAAS ELECTRONIC MATERIALS LLC 2021-05-13 US claimed
EP-3819397-A1 ELECTROLESS COPPER PLATING AND COUNTERACTING PASSIVATION Rohm and Haas Electronic Materials LLC (US) 2021-05-12 EP claimed
US-8053762-B2 Imidazoquinazoline derivative, process for preparing the same, and organic electronic device using the same LG CHEM, LTD. (KR) 2011-11-08 US claimed
US-20110081428-A1 Use of thioflavin-like compounds to increase life span and/or health span THE BUCK INSTITUTE FOR AGE RESEARCH 2011-04-07 US claimed
EP-2274460-A1 ADHESION PROMOTION OF METAL TO LAMINATE WITH A MULTI-FUNCTIONAL COMPOUND HAFTFORDERUNG VON METALL ZU LAMINATEN MIT EINER MULTIFUNKTIONELLEN Enthone, Inc. (US) 2011-01-19 EP claimed
WO-2007069847-A9 NOVEL IMIDAZOQUINAZOLINE DERIVATIVE, PROCESS FOR PREPARING THE SAME, AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM. LTD. (KR) 2010-12-16 WO claimed
WO-2009117734-A1 ADHESION PROMOTION OF METAL TO LAMINATE WITH A MULTI-FUNCTIONAL COMPOUND HAFTFORDERUNG VON METALL ZU LAMINATEN MIT EINER MULTIFUNKTIONELLEN ENTHONE INC. (US) 2009-09-24 WO claimed
CN-101291935-A Novel imidazoquinazoline derivative, method for preparing same, and organic electronic device using same LG CHEMICAL LTD (KR) 2008-10-22 CN claimed
EP-1960402-A1 NOVEL IMIDAZOQUINAZOLINE DERIVATIVE, PROCESS FOR PREPARING THE SAME, AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG Chem, Ltd. (KR) 2008-08-27 EP claimed
WO-2007069847-A1 NOVEL IMIDAZOQUINAZOLINE DERIVATIVE, PROCESS FOR PREPARING THE SAME, AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM. LTD. (KR) 2007-06-21 WO claimed
US-20070131929-A1 Novel imidazoquinazoline derivative, process for preparing the same, and organic electronic device using the same LG CHEM. LTD. (KR) 2007-06-14 US claimed
US-4662905-A REACTION PRODUCT OF COPPER SALT AND AN IMIDAZOLE, PYRAZOLE, TRIAZOLE, OR TETRAZOLE Itaru Todoriki, Director of Agency of Industrial Science and Technology (JP) 1987-05-05 US claimed

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-20110081428-A1 Use of thioflavin-like compounds to increase life span and/or health span HTT, POT1, TST NPC1 1250/4885RAB9A 3792/4885ALDH1A1 741/4885
US-11319328-B2 4β-amino substituted podophyllotoxin derivative and preparation method therefor and use thereof WEE1, WEE2, CYP51A1 NPC1 4117/4885RAB9A 1531/4885ALDH1A1 1581/4885

“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.