SCHEMBL16641985

SCHEMBL16641985

Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.54
MEN1 O00255 5/20 0.54
HPGD P15428 2/20 0.54
LMNA P02545 2/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 4/20 0.51
GFER P55789 2/20 0.51
HIF1A Q16665 1/20 0.51
GAA P10253 3/20 0.50
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
ALB P02768 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
PTGS2 P35354 1/20 0.43
HSP90AA1 P07900 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL16641990 0.90 MAPT (0.57) KMT2AMEN1HPGDLMNAPOLB
SCHEMBL16645384 0.84 CA1 (0.52) KMT2AMEN1HPGDLMNAPOLB
SCHEMBL12767425 0.82 MAPT (0.51) KMT2AMEN1LMNAMAPTGAA
SCHEMBL16641986 0.82 CA1 (0.64) KMT2AMEN1HPGDLMNAPOLB
SCHEMBL16641992 0.79 KMT2A (0.58) KMT2AMEN1HPGDLMNAPOLB
SCHEMBL12204318 0.79 KMT2A (0.51) KMT2AMEN1HPGDLMNAPOLB
SCHEMBL16645385 0.77 MEN1 (0.61) KMT2AMEN1HPGDLMNAPOLB
SCHEMBL11046759 0.76 HDAC1 (0.47) KMT2AMEN1LMNAMAPTGAA
SCHEMBL16641989 0.73 ACLY (0.52) KMT2AMEN1HPGDLMNAPOLB
SCHEMBL16641984 0.73 ALB (0.61) KMT2AMEN1HPGDLMNAPOLB

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 KMT2A 1058/4885MEN1 4328/4885HPGD 408/4885

“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.