SCHEMBL2646403

SCHEMBL2646403

C(=N/c1ccccc1)\c1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 1.00
NR4A1 P22736 1/20 0.88
MAOB P27338 2/20 0.67
USP2 O75604 1/20 0.55
MEN1 O00255 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
KMT2A Q03164 2/20 0.54
ATM Q13315 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
PKM P14618 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL13754809 1.00 MAOA (1.00) MAOANR4A1MAOBUSP2MEN1
SCHEMBL301198 1.00 MAOA (1.00) MAOANR4A1MAOBUSP2MEN1
SCHEMBL30529897 1.00 MAOA (1.00) MAOANR4A1MAOBUSP2MEN1
SCHEMBL31439730 0.93 MAOA (0.86) MAOANR4A1MAOBUSP2MEN1
Bromide SCHEMBL3698509 0.90 NR4A1 (0.92) MAOANR4A1MAOBUSP2MEN1
Hydrochloric Acid SCHEMBL3691373 0.90 NR4A1 (0.92) MAOANR4A1MAOBUSP2MEN1
Bromide SCHEMBL3691409 0.90 NR4A1 (0.92) MAOANR4A1MAOBUSP2MEN1
Bromide SCHEMBL3692019 0.90 NR4A1 (0.92) MAOANR4A1MAOBUSP2MEN1
Hydrochloric Acid SCHEMBL3696873 0.90 NR4A1 (0.92) MAOANR4A1MAOBUSP2MEN1
SCHEMBL13856220 0.89 NR4A1 (0.82) MAOANR4A1MAOBUSP2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024255129-A1 RECYCLABLE EPOXY RESIN, SYSTEM MATERIAL AND COMPOSITE MATERIAL THEREOF, AND RECOVERY METHODS THEREFOR 道生天合材料科技(上海)股份有限公司 2024-12-19 WO claimed
US-9862789-B2 Polymerization of diene monomers UNIVERSITY OF CONNECTICUT (US) 2018-01-09 US claimed
US-20160369027-A1 POLYMERIZATION OF DIENE MONOMERS UNIVERSITY OF CONNECTICUT 2016-12-22 US claimed
WO-2015003137-A1 POLYMERIZATION OF DIENE MONOMERS UNIVERSITY OF CONNECTICUT (US) 2015-01-08 WO claimed
EP-0008145-B1 USE OF PHENYLIMINOMETHYLPYRIDINE DERIVATIVES AS FUNGICIDES AND PLANT GROWTH REGULANTS COMPOSITIONS CONTAINING SUCH DERIVATIVES AND PHENYLIMINOMETHYLPYRIDINE DERIVATIVES AND THEIR PREPARATION SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-02-01 EP claimed
US-4281134-A FUNGICIDES, PLANT GROWTH REGULATORS SHELL OIL COMPANY (US) 1981-07-28 US claimed
WO-2024255129-A1 RECYCLABLE EPOXY RESIN, SYSTEM MATERIAL AND COMPOSITE MATERIAL THEREOF, AND RECOVERY METHODS THEREFOR 道生天合材料科技(上海)股份有限公司 2024-12-19 WO disclosed
US-11034691-B2 Sphinogosine-1 -phosphate receptor modulators for treatment of cardiopulmonary disorders THE SCRIPPS RESEARCH INSTITUTE (US) 2021-06-15 US disclosed
US-10954326-B2 Process for the preparation of syndiotactic 1,2-polybutadiene in the presence of a catalytic system comprising a pyridyl iron complex VERSALIS S.P.A. (IT) 2021-03-23 US disclosed
EP-2969593-B1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORP (JP) 2020-11-04 EP disclosed
EP-2969593-B1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORP (JP) 2020-11-04 EP 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
US-10781226-B2 Photoactivatable cancer prodrug TEXAS STATE UNIVERSITY (US) 2020-09-22 US disclosed
EP-0008145-B1 USE OF PHENYLIMINOMETHYLPYRIDINE DERIVATIVES AS FUNGICIDES AND PLANT GROWTH REGULANTS COMPOSITIONS CONTAINING SUCH DERIVATIVES AND PHENYLIMINOMETHYLPYRIDINE DERIVATIVES AND THEIR PREPARATION SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-02-01 EP disclosed
EP-0008145-B1 USE OF PHENYLIMINOMETHYLPYRIDINE DERIVATIVES AS FUNGICIDES AND PLANT GROWTH REGULANTS COMPOSITIONS CONTAINING SUCH DERIVATIVES AND PHENYLIMINOMETHYLPYRIDINE DERIVATIVES AND THEIR PREPARATION SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-02-01 EP disclosed
EP-0033183-A2 Phenyliminomethyl-3-pyridine derivatives, their preparation and use SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1981-08-05 EP disclosed
US-4281134-A FUNGICIDES, PLANT GROWTH REGULATORS SHELL OIL COMPANY (US) 1981-07-28 US disclosed
US-4281134-A FUNGICIDES, PLANT GROWTH REGULATORS SHELL OIL COMPANY (US) 1981-07-28 US disclosed
US-4281134-A FUNGICIDES, PLANT GROWTH REGULATORS SHELL OIL COMPANY (US) 1981-07-28 US disclosed
EP-0008145-A2 Use of phenyliminomethylpyridine derivatives as fungicides and plant growth regulants compositions containing such derivatives and phenyliminomethylpyridine derivatives and their preparation SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1980-02-20 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 (4 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-10954326-B2 Process for the preparation of syndiotactic 1,2-polybutadiene in the presence of a catalytic system comprising a pyridyl iron complex AOC3, C9, SCO2 MAOA 840/4885NR4A1 793/4885MAOB 394/4885
US-10781226-B2 Photoactivatable cancer prodrug UGT1A7, DCPS, PPOX MAOA 1033/4885NR4A1 964/4885MAOB 1310/4885
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 33/4885NR4A1 1331/4885MAOB 25/4885
US-11034691-B2 Sphinogosine-1 -phosphate receptor modulators for treatment of cardiopulmonary disorders S1PR1, SPHK1, S1PR3 MAOA 4758/4885NR4A1 1389/4885MAOB 4203/4885

“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.