SCHEMBL2010962

SCHEMBL2010962

O=C(CCl)Nc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.64
KDM4E B2RXH2 4/20 0.64
MAPT P10636 3/20 0.64
HPGD P15428 2/20 0.64
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HTT P42858 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
CYP1A2 P05177 2/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BLM P54132 1/20 0.41
TSHR P16473 2/20 0.39

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
SCHEMBL29581528 1.00 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTHPGDHDAC1
SCHEMBL9781616 0.87 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTHPGDHDAC1
SCHEMBL31613217 0.84 ALDH1A1 (0.69) ALDH1A1KDM4EMAPTHPGDHDAC1
SCHEMBL12571786 0.84 ALDH1A1 (0.69) ALDH1A1KDM4EMAPTHPGDHDAC1
SCHEMBL1751717 0.84 ALDH1A1 (0.69) ALDH1A1KDM4EMAPTHPGDHDAC1
SCHEMBL28679374 0.81 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTHPGDHDAC1
SCHEMBL12571807 0.80 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTHPGDHDAC1
SCHEMBL12571814 0.80 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTHPGDHDAC1
SCHEMBL30846143 0.80 ALDH1A1 (0.72) ALDH1A1KDM4EMAPTHPGDHDAC1
SCHEMBL22019171 0.79 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTHPGDHDAC1

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
CN-114031532-B Thiourea-modified pyrene derivative fluorescent probe and preparation method and application thereof 东北农业大学 2022-05-24 CN claimed
CN-114031532-A Thiourea-modified pyrene derivative fluorescent probe and preparation method and application thereof 东北农业大学 2022-02-11 CN claimed
US-7964721-B2 A mercury preferential fluorescence detectors used for detecting mercury ions; microfulidic chemical analysis CHUNG-ANG UNIVERSITY INDUSTRY-ACADEMY COOPERATION FOUNDATION (KR) 2011-06-21 US claimed
US-20080255346-A1 Ratiometric fluorescent chemosensor for selective detection of Hg (II) ions CHUNG-ANG UNIVERSITY INDUSTRY-ACADEMY COOPERATION FOUNDATION (KR) 2008-10-16 US claimed
CN-114031532-B Thiourea-modified pyrene derivative fluorescent probe and preparation method and application thereof 东北农业大学 2022-05-24 CN disclosed
CN-114031532-A Thiourea-modified pyrene derivative fluorescent probe and preparation method and application thereof 东北农业大学 2022-02-11 CN disclosed
US-7964721-B2 A mercury preferential fluorescence detectors used for detecting mercury ions; microfulidic chemical analysis CHUNG-ANG UNIVERSITY INDUSTRY-ACADEMY COOPERATION FOUNDATION (KR) 2011-06-21 US disclosed
US-20080255346-A1 Ratiometric fluorescent chemosensor for selective detection of Hg (II) ions CHUNG-ANG UNIVERSITY INDUSTRY-ACADEMY COOPERATION FOUNDATION (KR) 2008-10-16 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-20080255346-A1 Ratiometric fluorescent chemosensor for selective detection of Hg (II) ions TRPA1, TRPM2, GRIA1 ALDH1A1 2063/4885KDM4E 4206/4885MAPT 3264/4885

“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.