SCHEMBL4551705

SCHEMBL4551705

C1=CN(Cc2ccccc2)c2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
SIGMAR1 Q99720 1/20 0.41
MC4R P32245 1/20 0.39
NSD2 O96028 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
EPHX2 P34913 1/20 0.38
DRD3 P35462 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
CHRM3 P20309 1/20 0.38
DRD4 P21917 1/20 0.38
BRD4 O60885 1/20 0.37
ADORA2A P29274 1/20 0.37
CACNA1G O43497 1/20 0.37

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
SCHEMBL18634104 0.86 POLB (0.36) POLBLMNA
SCHEMBL18634107 0.86 CYP19A1 (0.40) POLBCHRM1
SCHEMBL17883599 0.84 CHRM2 (0.41) POLBSIGMAR1GAADRD3CHRM2
SCHEMBL18634150 0.82 NOD1 (0.35) POLB
SCHEMBL18634027 0.82 ALDH1A1 (0.42) POLBMC4RLMNADRD3CHRM2
SCHEMBL18634022 0.81 MC4R (0.57) POLBSIGMAR1MC4RLMNADRD3
SCHEMBL2734403 0.81 NPC1 (0.37) POLBLMNAHPGDDRD3CHRM2
SCHEMBL18634243 0.80 HRH3 (0.51) LMNA
SCHEMBL3714616 0.79 ALDH1A1 (0.39) POLBHPGDDRD3CHRM2CHRM4
SCHEMBL10760096 0.79 NPC1 (0.36) POLBSIGMAR1GAAMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885718-B1 FLUORESCENT CHEMICAL COMPOUNDS HAVING HIGH SELECTIVITY FOR DOUBLE STRANDED DNA, AND METHODS FOR THEIR USE LIFE TECHNOLOGIES CORP (US) 2017-03-15 EP disclosed
US-7598385-B2 Asymmetric cyanine fluorescent dyes SHENZHEN MINDRAY BIOMEDICAL ELECTRONICS CO., LTD. (CN) 2009-10-06 US disclosed
US-20090017441-A1 Reacting unsubstituted or substituted 2-methylbenzothiazole, 2-methylbenzooxazole or 2,3,3-trimethyl-3H-indoline with substituted or unsubstituted benzylhalide, forming 4-methylquinoline quaternary ammonium salt intermediates, condensing with N,N'-diphenylformamidine; for staining nucleic acids SHENZHEN MINDRAY BIO-MEDICAL ELECTRONICS CO., LTD. (CN) 2009-01-15 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 (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-20090017441-A1 Reacting unsubstituted or substituted 2-methylbenzothiazole, 2-methylbenzooxazole or 2,3,3-trimethyl-3H-indoline with substituted or unsubstituted benzylhalide, forming 4-methylquinoline quaternary ammonium salt intermediates, condensing with N,N'-diphenylformamidine; for staining nucleic acids RCC1, DNMT3A, H1-4 POLB 349/4885SIGMAR1 1475/4885MC4R 1728/4885

“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.