SCHEMBL9750249

SCHEMBL9750249

C=C1N(CC)c2ccc(C)cc2C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.39
MAPT P10636 6/20 0.39
MEN1 O00255 5/20 0.39
HTT P42858 4/20 0.39
KDM4E B2RXH2 4/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
THRB P10828 1/20 0.37
RECQL P46063 1/20 0.37
POLB P06746 3/20 0.36
ALDH1A1 P00352 5/20 0.34
PGR P06401 1/20 0.34
MAPK1 P28482 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 2/20 0.32
GAA P10253 2/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL9750408 0.82 KCNK2 (0.45) MAPTKDM4ELMNAALDH1A1PGR
SCHEMBL6091601 0.81 KMT2A (0.46) KMT2AMAPTMEN1HTTKDM4E
SCHEMBL26207778 0.80 MAPT (0.38) KMT2AMAPTMEN1HTTKDM4E
SCHEMBL25850130 0.80 KMT2A (0.41) KMT2AMAPTMEN1HTTKDM4E
SCHEMBL5543415 0.80 CYP2C9 (0.49) KMT2AMAPTMEN1HTTKDM4E
SCHEMBL4615673 0.80 ALDH1A1 (0.45) KMT2AMAPTMEN1HTTKDM4E
SCHEMBL21158099 0.78 KMT2A (0.47) KMT2AMAPTMEN1HTTKDM4E
SCHEMBL4603835 0.77 KMT2A (0.53) KMT2AMAPTMEN1HTTKDM4E
SCHEMBL9750176 0.77 TDP1 (0.43) KMT2AMAPTMEN1LMNATDP1
SCHEMBL9750089 0.76 RXRA (0.35) LMNAPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294118-A1 WATER SOLUBLE FLUORESCENT COMPOUNDS BIOSEARCH TECHNOLOGIES, INC. (US) 2011-12-01 US disclosed
US-5120858-A Condensation of 2-methyleneindoline and formic acid in acetic anhydride MILES INC. (US) 1992-06-09 US disclosed
EP-0058863-B1 PROCESS FOR THE PREPARATION OF TRIMETHINE DYESTUFFS BAYER AG (DE) 1985-01-23 EP disclosed
US-4419511-A Process for the preparation of trimethine dyestuffs BAYER AKTIENGESELLSCHAFT (US) 1983-12-06 US disclosed
EP-0058863-A1 Process for the preparation of trimethine dyestuffs BAYER AG (DE) 1982-09-01 EP disclosed
US-4201707-A Methine dyestuffs containing a phenyl azo group BAYER AKTIENGESELLSCHAFT (DE) 1980-05-06 US disclosed
US-4143228-A RED SHADES BAYER AKTIENGESELLSCHAFT (DE) 1979-03-06 US disclosed
US-4138570-A METHINE DYE BAYER AKTIENGESELLSCHAFT (DE) 1979-02-06 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-20110294118-A1 WATER SOLUBLE FLUORESCENT COMPOUNDS ABCG2, AQP1, AQP3 KMT2A 3963/4885MAPT 523/4885MEN1 2465/4885

“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.