SCHEMBL9511528

SCHEMBL9511528

NCCNCc1ccc(Br)nc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.45
MC5R P33032 2/20 0.45
MC3R P41968 1/20 0.39
CXCR4 P61073 1/20 0.38
CYP11B1 P15538 1/20 0.38
CHRM2 P08172 4/20 0.38
FPR2 P25090 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
HDAC1 Q13547 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
FPR3 P25089 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL10483916 0.93 MC4R (0.47) MC4RMC5RMC3RCXCR4CYP11B1
SCHEMBL10484004 0.92 MC4R (0.43) MC4RMC5RMC3RCXCR4CHRM2
SCHEMBL7304460 0.83 CYP1A2 (0.54) CXCR4CHRM2CYP1A2CYP2D6CYP2C19
SCHEMBL2535003 0.83 MEN1 (0.46) CXCR4CHRM2CYP1A2CYP2D6CYP2C19
SCHEMBL7999500 0.83 CXCR4 (0.40) CXCR4CYP11B1CHRM2FPR2CYP1A2
SCHEMBL23642329 0.82 CD274 (0.48) CYP11B1CHRM2FPR2LMNAPDCD1
SCHEMBL7995688 0.82 CYP11B1 (0.38) CXCR4CYP11B1CHRM2FPR2CYP1A2
SCHEMBL10863389 0.80 MC4R (0.46) MC4RMC5RMC3RCXCR4CHRM2
SCHEMBL5833046 0.79 MC4R (0.45) MC4RMC5RMC3RCXCR4CYP11B1
SCHEMBL4854056 0.79 KDM4E (0.53) MC4RMC5RCHRM2SIGMAR1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5017447-A None JP disclosed
EP-3819300-A1 BIOMARKER-BASED THERAPEUTIC COMPOSITION Wellmarker Bio Co., Ltd. (KR) 2021-05-12 EP disclosed
WO-2021045279-A1 BIOMARKER-BASED THERAPEUTIC COMPOSITION 웰마커바이오 주식회사 2021-03-11 WO disclosed
EP-3490379-A1 ACTIVE COMPOUND COMBINATIONS AND METHODS TO PROTECT THE PROPAGATION MATERIAL OF PLANTS Bayer CropScience Aktiengesellschaft (DE) 2019-06-05 EP disclosed
US-20190159451-A1 ACTIVE COMPOUND COMBINATIONS AND METHODS TO PROTECT THE PROPAGATION MATERIAL OF PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-05-30 US disclosed
US-20190150445-A1 SUBSTITUTED HALOGEN(THIO)ACYL COMPOUNDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-05-23 US disclosed
WO-2018019676-A1 ACTIVE COMPOUND COMBINATIONS AND METHODS TO PROTECT THE PROPAGATION MATERIAL OF PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-02-01 WO disclosed
JP-H0517447-A NEW DIAMINES NIPPON BAYERAGROCHEM KK 1993-01-26 JP disclosed
EP-0163855-B1 NITROMETHYLENE DERIVATIVES, INTERMEDIATES, AND PROCESS FOR THEIR PREPARATION AS INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-06-21 EP disclosed
US-4812571-A NITROMETHYLENE COMPOUNDS NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-03-14 US disclosed
US-4774247-A Nitromethylene derivative insecticides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-09-27 US disclosed
US-4678795-A 1-pyridylmethyl-2-nitromethylene-1,3-diazacycloalkane insecticides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1987-07-07 US disclosed
EP-0163855-A1 Nitromethylene derivatives, intermediates, and process for their preparation as insecticides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1985-12-11 EP disclosed
JP-H00517447-A 0001-01-01 JP 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 (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-20190159451-A1 ACTIVE COMPOUND COMBINATIONS AND METHODS TO PROTECT THE PROPAGATION MATERIAL OF PLANTS BROX, CAT, MPG MC4R 4842/4885MC5R 4800/4885MC3R 4643/4885
US-20190150445-A1 SUBSTITUTED HALOGEN(THIO)ACYL COMPOUNDS ACOT7, AGPAT5, TST MC4R 1319/4885MC5R 1786/4885MC3R 2146/4885

“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.