SCHEMBL16641981

SCHEMBL16641981

Oc1c(Cl)cc(Cl)cc1CNc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA9 Q16790 1/20 0.63
GAA P10253 2/20 0.62
KMT2A Q03164 6/20 0.56
MEN1 O00255 4/20 0.56
LMNA P02545 3/20 0.56
HPGD P15428 2/20 0.56
POLB P06746 1/20 0.56
GFER P55789 2/20 0.56
MAPT P10636 3/20 0.53
HIF1A Q16665 1/20 0.52
ALB P02768 1/20 0.50
HSP90AA1 P07900 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
EGFR P00533 5/20 0.49
ERBB2 P04626 5/20 0.49
ALOX12 P18054 1/20 0.49

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
SCHEMBL16641986 0.84 CA1 (0.64) CA12CA1CA2CA9GAA
SCHEMBL2985308 0.84 CA1 (0.68) CA12CA1CA2CA9GAA
SCHEMBL16641979 0.83 KMT2A (0.53) CA12CA1CA2CA9GAA
Hydrochloric Acid SCHEMBL10848274 0.83 CA1 (0.67) CA12CA1CA2CA9GAA
SCHEMBL11764387 0.82 CA12 (0.62) CA12CA1CA2CA9GAA
SCHEMBL15367453 0.80 MAPT (0.50) CA12CA1CA2CA9GAA
SCHEMBL22624759 0.80 KMT2A (0.50) CA12CA1CA2CA9GAA
SCHEMBL16645393 0.80 CA12 (0.59) CA12CA1CA2CA9GAA
SCHEMBL16645403 0.80 CYP2C9 (0.61) CA12CA1CA2CA9GAA
SCHEMBL29042293 0.79 CA1 (0.52) CA12CA1CA2CA9GAA

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-20150105324-A1 COMPOSITIONS AND METHODS FOR TREATING PTSD AND RELATED DISEASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION 2015-04-16 US disclosed
US-20150105324-A1 COMPOSITIONS AND METHODS FOR TREATING PTSD AND RELATED DISEASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION 2015-04-16 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-20150105324-A1 COMPOSITIONS AND METHODS FOR TREATING PTSD AND RELATED DISEASES GRIN2A, GRIN1, GRIN2C CA12 1006/4885CA1 455/4885CA2 2163/4885

“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.