SCHEMBL522503

SCHEMBL522503

c1ccc(NCc2ccccn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 1.00
MAOB P27338 3/20 1.00
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
PTPN11 Q06124 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
GRM4 Q14833 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
GAA P10253 2/20 0.56
KCNH2 Q12809 2/20 0.55
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL30373802 1.00 MAOA (1.00) MAOAMAOBNPC1RAB9APTPN11
Hydrochloric Acid SCHEMBL2085180 0.98 MAOA (0.96) MAOAMAOBNPC1RAB9APTPN11
Hydrochloric Acid SCHEMBL4509967 0.98 MAOA (0.96) MAOAMAOBNPC1RAB9APTPN11
SCHEMBL11714121 0.89 MAOA (0.79) MAOAMAOBNPC1RAB9APTPN11
SCHEMBL29941075 0.88 MAOA (0.79) MAOAMAOBNPC1RAB9APTPN11
SCHEMBL4493175 0.85 MAOA (0.73) MAOAMAOBNPC1RAB9APTPN11
SCHEMBL10557233 0.85 MAOA (0.73) MAOAMAOBNPC1RAB9APTPN11
SCHEMBL20837976 0.85 MAOA (1.00) MAOAMAOBNPC1RAB9APTPN11
SCHEMBL2397577 0.85 MAOA (0.73) MAOAMAOBNPC1RAB9APTPN11
SCHEMBL7079919 0.85 MAOA (0.73) MAOAMAOBNPC1RAB9APTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140294724-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROTEINOPATHIES INTELLECT NEUROSCIENCES, INC. (US) 2014-10-02 US claimed
US-6657065-B2 Which are useful as microsomal triglyceride transfer protein (MTP) inhibitors PFIZER INC 2003-12-02 US claimed
US-20020161233-A1 Methods of making quinoline amides TOM NORMA J (US) 2002-10-31 US claimed
US-20020042516-A1 Methods of making quinoline amides TOM NORMA J (US) 2002-04-11 US claimed
CN-112409188-B Method for synthesizing N-alkylamine 南京理工大学 2023-05-05 CN disclosed
CN-112409188-A Method for synthesizing N-alkylamine 南京理工大学 2021-02-26 CN disclosed
US-10793653-B2 Process for preparing conjugated diene (co)polymers in the presence of a catalytic system comprising a pyridyl iron (III) complex VERSALIS S.P.A. (IT) 2020-10-06 US disclosed
CN-107001501-B Oxo-nitrogenated vanadium complex, catalytic system comprising same and process for (co) polymerizing conjugated dienes 维尔萨利斯股份公司 2020-06-23 CN disclosed
US-10654952-B2 Nitrogen titanium complex, catalytic system comprising said nitrogen titanium complex and process for the (co)polymerization of conjugated dienes VERSALIS S.P.A. (IT) 2020-05-19 US disclosed
US-10464901-B2 Composition including benzene diamine derivative for preventing or treating degenerative brain diseases UNIST(ULSAN NATIONAL INSTITUTE OF SCIENCE AND TECHNOLOGY) (KR) 2019-11-05 US disclosed
EP-3237463-B1 OXO-NITROGENATED VANADIUM COMPLEX, CATALYTIC SYSTEM COMPRISING SAID OXO-NITROGENATED VANADIUM COMPLEX AND PROCESS FOR (CO)POLYMERISING CONJUGATED DIENES VERSALIS SPA (IT) 2019-10-23 EP disclosed
EP-3194409-B1 PYRIDINE COMPLEX OF ZIRCONIUM, CATALYTIC SYSTEM COMPRISING SAID PYRIDINE COMPLEX OF ZIRCONIUM AND PROCESS OF (CO)POLYMERIZATION OF CONJUGATED DIENES VERSALIS SPA (IT) 2019-09-11 EP disclosed
US-4839369-A ANTIINFLAMMATORY AGENTS; ANTIALLERGENS RORER PHARMACEUTICAL CORPORATION (US) 1989-06-13 US disclosed
US-4728668-A Aryl and heteroaryl ethers as agents for the treatment of hypersensitive ailments USV PHARMACEUTICAL CORPORATION (US) 1988-03-01 US disclosed
US-4725619-A Aryl and heteroaryl ethers as agents for the treatment of hypersensitive ailments USV PHARMACEUTICAL CORPORATION (US) 1988-02-16 US disclosed
US-4631287-A Aryl and heteroaryl ethers as agents for the treatment of hypersensitive ailments USV PHARMACEUTICAL CORP. (US) 1986-12-23 US disclosed
EP-0200101-A2 Aryl and heteroaryl ethers as agents for the treatment of hypersensitive aliments USV PHARMACEUTICAL CORPORATION (US) 1986-11-05 EP disclosed
US-4112100-A INCREASING THE ENDOGENOUS PRODUCTION OF PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-09-05 US disclosed
US-4069224-A N-(PYRIDYLALKYL)BENZAMIDES, IMPROVE PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-01-17 US disclosed
US-4008326-A INCREASING PRODUCTION OF PROSTAGLANDINS THE UPJOHN COMPANY (US) 1977-02-15 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-20020161233-A1 Methods of making quinoline amides CETP, MTTP, LCAT MAOA 574/4885MAOB 509/4885NPC1 21/4885
US-20020042516-A1 Methods of making quinoline amides CETP, MTTP, LCAT MAOA 574/4885MAOB 509/4885NPC1 21/4885
US-20140294724-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROTEINOPATHIES CLN6, PSMG3, PSEN1 MAOA 3567/4885MAOB 3827/4885NPC1 470/4885
US-10793653-B2 Process for preparing conjugated diene (co)polymers in the presence of a catalytic system comprising a pyridyl iron (III) complex AOC3, C5, AOC2 MAOA 33/4885MAOB 25/4885NPC1 3667/4885
US-10464901-B2 Composition including benzene diamine derivative for preventing or treating degenerative brain diseases PSEN2, PSEN1, APP MAOA 158/4885MAOB 74/4885NPC1 439/4885
US-10654952-B2 Nitrogen titanium complex, catalytic system comprising said nitrogen titanium complex and process for the (co)polymerization of conjugated dienes CAT, NSFL1C, NCLN MAOA 72/4885MAOB 61/4885NPC1 3611/4885

“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.