SCHEMBL2057766

SCHEMBL2057766

CC1=Nc2cccc(Br)c2C1(C)C

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MCL1 Q07820 1/20 0.31

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
SCHEMBL31461336 0.79 MEN1 (0.55) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL1049879 0.79 MEN1 (0.55) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL5273065 0.76 MEN1 (0.51) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL4697734 0.76 MEN1 (0.51) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL28519546 0.74 DYRK1A (0.30)
SCHEMBL38662912 0.73 MEN1 (0.42) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL28857151 0.72 KMT2A (0.51) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL4349057 0.72 MEN1 (0.51) MEN1KMT2A
SCHEMBL11217944 0.71 MEN1 (0.35) MEN1KMT2AALDH1A1
Phosphoric Acid SCHEMBL29008757 0.71 MEN1 (0.46) MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108976242-A Synthesis a kind of while that there is photochromic and ion detection function Indoline spiropyran derivative 南京大学 2018-12-11 CN claimed
CN-110121561-A Near-infrared glucose sensor 普罗菲尤萨股份有限公司 2019-08-13 CN disclosed
CN-108976242-A Synthesis a kind of while that there is photochromic and ion detection function Indoline spiropyran derivative 南京大学 2018-12-11 CN disclosed
CN-102652282-B Photochromic material UNIV KOREA RES & BUS FOUND 2014-09-17 CN disclosed
US-20110294118-A1 WATER SOLUBLE FLUORESCENT COMPOUNDS BIOSEARCH TECHNOLOGIES, INC. (US) 2011-12-01 US disclosed
US-7868157-B2 low non-specific binding, photostable, ease of chemical modification to permit tuning of absorption and emission wavelengths and resistance to the formation of dimers; 1-(5-carboxy-pentyl)-2-[5-(1-ethyl-3,3-dimethyl-5-phosphono-1,3-dihydro-indol-2-ylidene)-penta-1,3-dienyl]-3,3-dimethyl-3H-indolium BIOSEARCH TECHNOLOGIES, INC. (US) 2011-01-11 US disclosed
US-20070021621-A1 Water soluble fluorescent compounds BIOSEARCH TECHNOLOGIES, INC. (US) 2007-01-25 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 (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-20110294118-A1 WATER SOLUBLE FLUORESCENT COMPOUNDS ABCG2, AQP1, AQP3 MEN1 2465/4885KMT2A 3963/4885ALDH1A1 435/4885
US-20070021621-A1 Water soluble fluorescent compounds ABCG2, AQP1, AQP3 MEN1 2465/4885KMT2A 3963/4885ALDH1A1 435/4885

“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.