SCHEMBL1039636

SCHEMBL1039636

CN(C)c1cc(Cl)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.54
TP53 P04637 2/20 0.48
FSCN1 Q16658 1/20 0.44
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP3A4 P08684 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
BLM P54132 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SIGMAR1 Q99720 4/20 0.41
MCL1 Q07820 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SLC9A1 P19634 1/20 0.38

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
SCHEMBL3789565 0.82 GAA (0.61) GAAKMT2ATP53FSCN1TSHR
SCHEMBL2616324 0.80 GAA (0.59) GAAKMT2ATP53FSCN1TSHR
SCHEMBL20119975 0.78 KMT2A (0.52) GAAKMT2ATP53FSCN1TSHR
SCHEMBL13178785 0.78 CYP1A2 (0.42) GAAKMT2ATP53TSHRALDH1A1
SCHEMBL3784021 0.78 ALDH1A1 (0.46) GAAKMT2ATP53TSHRALDH1A1
SCHEMBL3222106 0.76 HSD17B10 (0.50) GAAKMT2AFSCN1TSHRALDH1A1
SCHEMBL3214529 0.76 GAA (0.67) GAAKMT2ATP53FSCN1TSHR
SCHEMBL3982297 0.76 GAA (0.36) GAAKMT2APOLBMAPK1BLM
SCHEMBL9493720 0.76 HSD17B10 (0.52) GAAKMT2ATSHRALDH1A1HSD17B10
SCHEMBL17884680 0.76 ALDH1A1 (0.48) GAAKMT2ATSHRALDH1A1TDP1

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-20220048915-A1 Nitrogen-containing Heterocyclic Compound and Composition Thereof, Preparation Method Therefor, and Application Thereof SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2022-02-17 US disclosed
EP-2272906-A2 Compositions for electroluminescent material and their devices Sumation Company Limited (JP) 2011-01-12 EP 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-20220048915-A1 Nitrogen-containing Heterocyclic Compound and Composition Thereof, Preparation Method Therefor, and Application Thereof MAPK11, WEE1, NOS1 GAA 4372/4885KMT2A 3961/4885TP53 2750/4885

“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.