SCHEMBL13672949

SCHEMBL13672949

CC[n+]1c(/C=C/Nc2ccccc2)sc2ccccc21

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.97
▸ KMT2A Q03164 9/20 0.97
▸ MEN1 O00255 8/20 0.97
▸ HTT P42858 7/20 0.97
▸ LMNA P02545 4/20 0.97
▸ THRB P10828 3/20 0.97
▸ MMP14 P50281 1/20 0.97
▸ ADRB2 P07550 1/20 0.70
▸ INSR P06213 1/20 0.54
▸ ALDH1A1 P00352 6/20 0.52
▸ KDM4E B2RXH2 6/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ CYP2D6 P10635 2/20 0.52
▸ APP P05067 2/20 0.52
▸ ALOX12 P18054 2/20 0.50
▸ CTNNB1 P35222 2/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ NPC1 O15118 7/20 0.48

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
SCHEMBL26845318 0.85 MAPT (0.72) MAPTKMT2AMEN1HTTLMNA
SCHEMBL11289314 0.82 ADRB2 (1.00) MAPTKMT2AMEN1HTTLMNA
SCHEMBL30924935 0.82 ADRB2 (1.00) MAPTKMT2AMEN1HTTLMNA
SCHEMBL5020834 0.82 ADRB2 (1.00) MAPTKMT2AMEN1HTTLMNA
Perchlorate SCHEMBL11444833 0.81 KMT2A (0.66) MAPTKMT2AMEN1HTTLMNA
Perchlorate SCHEMBL11444832 0.81 KMT2A (0.66) MAPTKMT2AMEN1HTTLMNA
SCHEMBL17322556 0.80 INSR (0.75) MAPTKMT2AMEN1HTTLMNA
SCHEMBL16800102 0.79 MAPT (0.63) MAPTKMT2AMEN1HTTLMNA
SCHEMBL12439978 0.77 MAPT (0.61) MAPTKMT2AMEN1HTTLMNA
SCHEMBL10603061 0.77 MEN1 (0.61) MAPTKMT2AMEN1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 2247/4885KMT2A 187/4885MEN1 1824/4885

“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.

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