SCHEMBL4870613

SCHEMBL4870613

CCC(=Nc1ccc2sc3ccc(N=C(CC)N(C)C)cc3c2c1)N(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.35
NOS1 P29475 3/20 0.35
NOS2 P35228 3/20 0.35
MEN1 O00255 6/20 0.34
MAPT P10636 6/20 0.34
RAB9A P51151 6/20 0.34
KMT2A Q03164 6/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
NFKB1 P19838 3/20 0.34
NFKB2 Q00653 3/20 0.34
RELA Q04206 3/20 0.34
HIF1A Q16665 1/20 0.34
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
IDE P14735 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
KDM4E B2RXH2 3/20 0.32

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
SCHEMBL10513467 0.80 BCKDK (0.34) NOS3NOS1NOS2
SCHEMBL4865586 0.69 MAOA (0.34) KMT2AKDM4EALDH1A1
SCHEMBL10341922 0.67 ATM (0.41) NOS3NOS1NOS2MEN1MAPT
SCHEMBL10341772 0.62 KMT2A (0.40) NOS3NOS1MEN1KMT2AL3MBTL1
SCHEMBL10533408 0.59 ALDH1A1 (0.41) NOS3NOS1NOS2MAPTSMN1; SMN2
SCHEMBL28586486 0.59 NPC1 (0.44) MAPTRAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL11658932 0.58 NOS3 (0.45) NOS3NOS1NOS2RAB9AKDM4E
SCHEMBL21373268 0.57 NOS3 (0.34) NOS3NOS1NOS2
SCHEMBL21373267 0.57 NOS3 (0.34) NOS3NOS1NOS2
SCHEMBL20181612 0.57 NOS3 (0.34) NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4965284-A IMMUNOMODULATORS AMERICAN CYANAMID COMPANY (US) 1990-10-23 US claimed
EP-0342433-A2 Substituted dibenzothiaphenes AMERICAN CYANAMID COMPANY (US) 1989-11-23 EP claimed
US-20080070963-A1 Compositions and methods for promoting neural regeneration Neuberger, Timothy 2008-03-20 US disclosed
US-7271187-B2 Compositions and methods for promoting tissue regeneration Neuberger, Tim (US) 2007-09-18 US disclosed
US-20020055530-A1 Compositions and methods for promoting tissue regeneration URI HERZBERG 2002-05-09 US disclosed
US-4965284-A IMMUNOMODULATORS AMERICAN CYANAMID COMPANY (US) 1990-10-23 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 (2 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-20020055530-A1 Compositions and methods for promoting tissue regeneration TST, DCX, GAP43 NOS3 191/4885NOS1 678/4885NOS2 565/4885
US-20080070963-A1 Compositions and methods for promoting neural regeneration GAP43, DCX, BDNF NOS3 212/4885NOS1 677/4885NOS2 608/4885

“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.