SCHEMBL1613837

SCHEMBL1613837

Cc1cccn1-c1ccnc2cc(Cl)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.54
ALOX15 P16050 1/20 0.54
CASP1 P29466 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CHKA P35790 1/20 0.52
KMT2A Q03164 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
ADRB2 P07550 1/20 0.50
NCF1 P14598 1/20 0.50
NPC1 O15118 1/20 0.49
CLK1 P49759 1/20 0.48
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD3 P35462 1/20 0.47
OPRK1 P41145 1/20 0.47
PDE4D Q08499 1/20 0.47
KCNH2 Q12809 1/20 0.47
PDE3A Q14432 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL13891514 0.72 PKM (0.88) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL28215980 0.72 NOTUM (0.43) HSD17B10ALDH1A1GAANPSR1SMN1; SMN2
SCHEMBL29491409 0.71 NR4A2 (0.61) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL2710661 0.71 NR4A2 (0.61) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL15452714 0.71 CGAS (0.60) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL17327869 0.70 PKM (1.00) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL29912091 0.70 PKM (0.76) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL10267688 0.70 PKM (0.76) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL5307848 0.69 CHKA (1.00) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL17327868 0.69 CHKA (1.00) PKMALOX15CASP1HSD17B10CHKA

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 8 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
WO-2014160811-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROPATHY CHILDREN'S MEDICAL CENTER CORPORATION (US) 2014-10-02 WO 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
EP-2240177-A2 TREATMENTS FOR NEUROPATHY Children's Medical Center Corporation (US) 2010-10-20 EP disclosed
WO-2009102570-A2 TREATMENTS FOR NEUROPATHY CHILDREN'S MEDICAL CENTER CORPORATION (US) 2009-08-20 WO 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 PKM 4182/4885ALOX15 809/4885CASP1 1919/4885
US-20090203735-A1 TREATMENTS FOR NEUROPATHY NGF, BDNF, NTRK2 PKM 4182/4885ALOX15 809/4885CASP1 1919/4885
US-20160045487-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROPATHY PMP22, GAP43, NGF PKM 3545/4885ALOX15 776/4885CASP1 3907/4885
US-20110086878-A1 Treatments for Neuropathy NGF, BDNF, NTRK2 PKM 4182/4885ALOX15 809/4885CASP1 1919/4885

“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.