SCHEMBL1613404

SCHEMBL1613404

Clc1ccc2c(NC3CCCCC3Nc3ccnc4cc(Cl)ccc34)ccnc2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT5B Q4FZB7 2/20 0.81
KMT5C Q86Y97 2/20 0.81
NSD2 O96028 1/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C19 P33261 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
HPGD P15428 1/20 0.61
TSHR P16473 1/20 0.61
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
CYP1A2 P05177 1/20 0.59
NR4A2 P43354 1/20 0.58
MAPT P10636 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
CCR1 P32246 1/20 0.56
FERMT2 Q96AC1 2/20 0.54

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
SCHEMBL9271568 1.00 KMT5B (0.81) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL9540195 1.00 KMT5B (0.81) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL9267916 0.97 KMT5B (0.76) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL4810793 0.93 KMT5B (0.71) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL30817045 0.92 KMT5B (0.70) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL30817039 0.92 KMT5B (0.70) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL7837345 0.92 KMT5B (0.70) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL30817065 0.92 KMT5B (0.70) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL7826415 0.92 KMT5B (0.70) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL7205744 0.90 KMT5B (0.67) KMT5BKMT5CNSD2CYP2D6CYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160058749-A1 TREATMENTS FOR NEUROPATHY CHILDRENS MEDICAL CENTER (US) 2016-03-03 US disclosed
US-20160045487-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROPATHY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-18 US disclosed
US-20110086878-A1 Treatments for Neuropathy NIH-DEITR 2011-04-14 US disclosed
US-7863295-B2 Treatments for neuropathy CHILDREN'S MEDICAL CENTER CORPORATION (US) 2011-01-04 US disclosed
US-20090203735-A1 TREATMENTS FOR NEUROPATHY NIH-DEITR 2009-08-13 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 (4 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-20160058749-A1 TREATMENTS FOR NEUROPATHY NGF, BDNF, NTRK2 KMT5B 2884/4885KMT5C 3348/4885NSD2 3911/4885
US-20090203735-A1 TREATMENTS FOR NEUROPATHY NGF, BDNF, NTRK2 KMT5B 2884/4885KMT5C 3348/4885NSD2 3911/4885
US-20160045487-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROPATHY PMP22, GAP43, NGF KMT5B 1424/4885KMT5C 2069/4885NSD2 4548/4885
US-20110086878-A1 Treatments for Neuropathy NGF, BDNF, NTRK2 KMT5B 2884/4885KMT5C 3348/4885NSD2 3911/4885

“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.