SCHEMBL2406181

SCHEMBL2406181

CC(NCc1ccccc1)B(Oc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.42
CASR P41180 1/20 0.41
SIGMAR1 Q99720 3/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
HTR1B P28222 2/20 0.35
GSK3B P49841 1/20 0.35
BCHE P06276 1/20 0.34
POLB P06746 1/20 0.34
NR2E1 Q9Y466 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL2409020 0.74 SIGMAR1 (0.35) SIGMAR1HTR1B
SCHEMBL5952980 0.67 KCNA3 (0.41) SIGMAR1KMT2AKDM4EALDH1A1TDP1
SCHEMBL2341650 0.67 POLB (0.61) ACP3CASRSIGMAR1POLB
SCHEMBL15131229 0.67 POLB (0.61) ACP3CASRSIGMAR1POLB
SCHEMBL5193705 0.67 POLB (0.61) ACP3CASRSIGMAR1POLB
Hydrochloric Acid SCHEMBL3082165 0.66 CASR (0.60) ACP3CASRSIGMAR1POLB
Hydrochloric Acid SCHEMBL3067899 0.66 CASR (0.60) ACP3CASRSIGMAR1POLB
Hydrochloric Acid SCHEMBL31355096 0.66 CASR (0.60) ACP3CASRSIGMAR1POLB
Hydrochloric Acid SCHEMBL607723 0.66 CASR (0.60) ACP3CASRSIGMAR1POLB
SCHEMBL8826271 0.66 CASR (0.51) ACP3CASRKDM4EALDH1A1CARM1

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-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 ACP3 2665/4885CASR 4202/4885SIGMAR1 2136/4885

“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.