SCHEMBL2429367

SCHEMBL2429367

O=C(Nc1nc2ccccc2s1)N(CCNCC1CCCCC1)CCC(c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASR P41180 15/20 0.62
MEN1 O00255 2/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
CSNK1D P48730 1/20 0.49
NCS1 P62166 1/20 0.49
ALDH1A1 P00352 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
CNR1 P21554 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
SCHEMBL2432636 0.86 CASR (0.64) CASRCSNK1DNCS1
SCHEMBL2433482 0.85 CASR (0.56) CASR
SCHEMBL4037795 0.84 CASR (0.66) CASRCSNK1DNCS1
SCHEMBL2429366 0.84 CASR (0.62) CASRMEN1NPC1RAB9AKMT2A
SCHEMBL2431972 0.83 CASR (0.62) CASRNPC1RAB9AKMT2AKDM4E
SCHEMBL2433453 0.83 CASR (0.61) CASRMEN1NPC1RAB9AKMT2A
SCHEMBL2431949 0.83 CASR (0.71) CASR
SCHEMBL4207364 0.83 CASR (0.61) CASRADORA2AADORA1CSNK1DNCS1
SCHEMBL2430060 0.83 CASR (0.61) CASRMEN1NPC1RAB9AKMT2A
SCHEMBL2430770 0.82 CASR (0.69) CASRCSNK1DNCS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 US claimed
EP-2366698-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor Galapagos SAS (FR) 2011-09-21 EP disclosed
EP-2081925-A1 BENZOYLPYRAZOLES, THEIR USE AS AS HERBICIDES, AND INTERMEDIATES Bayer CropScience AG (DE) 2009-07-29 EP disclosed
EP-2041103-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR Galapagos SAS (FR) 2009-04-01 EP disclosed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 US disclosed
WO-2008043456-A1 BENZOYLPYRAZOLES, THEIR USE AS AS HERBICIDES, AND INTERMEDIATES BAYER CROPSCIENCE AG (DE) 2008-04-17 WO disclosed
WO-2008006625-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SAS (FR) 2008-01-17 WO 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-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor UTS2R, CASR, GPR17 CASR 2/4885MEN1 2770/4885NPC1 2414/4885

“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.