SCHEMBL2230388

SCHEMBL2230388

O=[N+]([O-])c1cnc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
RAB9A P51151 7/20 0.53
NPC1 O15118 4/20 0.53
CYP1A2 P05177 2/20 0.51
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 1/20 0.47
MGAM O43451 1/20 0.47
ALPL P05186 1/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
CASP6 P55212 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL29642602 1.00 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ARAB9ANPC1
Methane SCHEMBL28038323 0.98 ALDH1A1 (0.96) ALDH1A1MEN1KMT2ARAB9ANPC1
Ammonia Solution, Strong SCHEMBL28747081 0.98 ALDH1A1 (0.96) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL17796892 0.82 ALDH1A1 (0.69) ALDH1A1MEN1KMT2ARAB9ANPC1
Quinoline SCHEMBL9110133 0.80 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL20557840 0.79 NPC1 (0.66) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL14486805 0.79 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL3802331 0.78 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL1702192 0.78 MEN1 (0.72) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL4866756 0.77 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108558751-B Synthesis process of 3-nitroquinoline derivative 武汉工程大学 2021-01-05 CN claimed
CN-108558750-B Process for synthesizing 3-nitroquinoline derivative by solvent-free method 武汉工程大学 2021-01-05 CN claimed
CN-107522659-B 3-nitroquinoline derivative and preparation method and application thereof 云南大学 2020-09-29 CN claimed
CN-108752339-B A kind of synthetic method of quindoline and its derivative 武汉工程大学 2019-10-22 CN claimed
US-10224485-B2 Process for preparing a crystalline organic semiconductor material BASF SE (DE) 2019-03-05 US claimed
US-10125226-B2 Scale-up process of bifunctionalized triblock copolymers with secondary and tertiary amines, with application in dewatering and desalting of heavy crude oils INSTITUTO MEXICANO DEL PETROLEO (MX) 2018-11-13 US claimed
CN-108752339-A A kind of synthetic method of quindoline and its derivative 武汉工程大学 2018-11-06 CN claimed
CN-108558750-A The technique that solventless method synthesizes 3- nitroquinoline derivatives 武汉工程大学 2018-09-21 CN claimed
CN-107522659-A 3 nitroquinoline analog derivatives and its preparation method and application 云南大学 2017-12-29 CN claimed
US-20170012208-A1 ORGANIC SEMICONDUCTOR FORMULATIONS USINVEST LLC 2017-01-12 US claimed
US-20140364566-A1 SCALE-UP PROCESS OF BIFUNCTIONALIZED TRIBLOCK COPOLYMERS WITH SECONDARY AND TERTIARY AMINES, WITH APPLICATION IN DEWATERING AND DESALTING OF HEAVY CRUDE OILS INSTITUTO MEXICANO DEL PETROLEO (MX) 2014-12-11 US claimed
CN-1830964-B 4-Substituting anilino-3-nitroquinoline compounds, prepn. method and use thereof SHANGHAI INST OF MEDICINES CHINESE ACADEMY OF SCIENCES 2011-06-15 CN claimed
CN-1830964-A 4-Substituting anilino-3-nitroquinoline compounds, prepn. method and use thereof SHANGHAI INST OF MEDICINES CHI (CN) 2006-09-13 CN claimed
EP-0543307-A2 Nootropic agent SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-05-26 EP claimed
WO-2024080788-A1 NOVEL TRICYCLIC DERIVATIVE COMPOUND AND USES THEREOF 한미약품 주식회사 2024-04-18 WO disclosed
CN-117881680-A Tricyclic compounds as KRAS inhibitors 因赛特公司 2024-04-12 CN disclosed
EP-3183250-B1 PROCESS FOR PREPARING CRYSTALLINE ORGANIC SEMICONDUCTOR MATERIAL CLAP CO LTD (KR) 2023-10-04 EP disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
CN-85107531-A Process for producing vinyl chloride polymer 1987-01-21 CN disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 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 (1 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-10224485-B2 Process for preparing a crystalline organic semiconductor material STOM, SPOP, TTR ALDH1A1 4757/4885MEN1 722/4885KMT2A 3227/4885

“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.