SCHEMBL16645393

SCHEMBL16645393

Oc1c(Cl)cc(Cl)cc1CNc1ccc(F)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
ALB P02768 1/20 0.53
MAPT P10636 7/20 0.52
ALDH1A1 P00352 3/20 0.52
POLB P06746 2/20 0.52
GAA P10253 2/20 0.51
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 3/20 0.50
CYP3A4 P08684 2/20 0.50
CYP1A2 P05177 2/20 0.50
PLA2G1B P04054 1/20 0.50
CYP2D6 P10635 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
KMT2A Q03164 10/20 0.49
MEN1 O00255 8/20 0.49
KDM4E B2RXH2 1/20 0.49
ALOX15 P16050 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
SCHEMBL16645403 0.91 CYP2C9 (0.61) CA12CA1CA2CA9ALB
SCHEMBL16641983 0.89 ALB (0.58) CA12CA1CA2CA9ALB
SCHEMBL11764387 0.84 CA12 (0.62) CA12CA1CA2CA9ALB
SCHEMBL16641984 0.84 ALB (0.61) CA12CA1CA2CA9ALB
SCHEMBL16641979 0.82 KMT2A (0.53) CA12CA1CA2CA9ALB
SCHEMBL15363557 0.82 MAPT (0.52) CA12CA1CA2CA9ALB
SCHEMBL16641986 0.80 CA1 (0.64) CA12CA1CA2CA9ALB
SCHEMBL2985308 0.80 CA1 (0.68) CA12CA1CA2CA9ALB
SCHEMBL16641981 0.80 CA12 (0.63) CA12CA1CA2CA9ALB
Hydrochloric Acid SCHEMBL10848274 0.79 CA1 (0.67) CA12CA1CA2CA9ALB

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 1 patent. 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

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.