SCHEMBL5262117

SCHEMBL5262117

O=[N+]([O-])c1ccccc1SC1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
ALDH1A1 P00352 4/20 0.62
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4A O75164 1/20 0.53
TDP2 O95551 1/20 0.53
KDM4C Q9H3R0 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
HPGD P15428 1/20 0.52
PDE7A Q13946 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
PKM P14618 1/20 0.45
CRBN Q96SW2 1/20 0.44
ACHE P22303 1/20 0.42
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 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
SCHEMBL31315669 0.98 MAPT (0.65) MAPTALDH1A1MEN1KMT2AKDM4A
SCHEMBL6759187 0.98 MAPT (0.65) MAPTALDH1A1MEN1KMT2AKDM4A
SCHEMBL875286 0.93 MAPT (0.57) MAPTALDH1A1MEN1KMT2AKDM4A
SCHEMBL8028472 0.85 MAPT (0.51) MAPTALDH1A1MEN1KMT2AKDM4A
SCHEMBL8328341 0.80 MAPT (0.56) MAPTALDH1A1MEN1KMT2AKDM4A
SCHEMBL1341257 0.78 HPGD (0.51) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL14705400 0.76 MEN1 (0.55) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL8671634 0.76 HPGD (0.50) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL20495594 0.75 MAOA (0.44) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL30548748 0.75 MAOA (0.44) MAPTALDH1A1MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070238763-A1 Urea derivatives as integrin a4 antagonists LABORATORIOS ALMIRALL, S.A. 2007-10-11 US disclosed
EP-1383750-B1 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-26 EP disclosed
US-7253171-B2 Urea derivatives as integrin α4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-07 US disclosed
US-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2004-07-22 US disclosed
EP-1383750-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2004-01-28 EP disclosed
WO-2002057242-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL PRODESFARMA, S.A. (ES) 2002-07-25 WO disclosed
US-4239688-A Herbicidal N-(haloacetyl)-N-(N'-methylenepyrrolidonyl-2-mercaptoalkylanilines GAF CORPORATION (US) 1980-12-16 US disclosed
US-4216152-A Process for making N-(N'-methylenepyrrolidonyl)-2-substituted anilines GAF CORPORATION (US) 1980-08-05 US disclosed
US-4203901-A Process for making N-(N'-methylenepyrrolidonyl)-2-substituted anilines GAF CORPORATION (US) 1980-05-20 US disclosed
US-4202821-A N-(N'-Methylenepyrrolidonyl)-2-substituted anilines GAF CORPORATION (US) 1980-05-13 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 (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-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists ITGA4, ITGB4, ITGA1 MAPT 3433/4885ALDH1A1 708/4885MEN1 4288/4885
US-20070238763-A1 Urea derivatives as integrin a4 antagonists ITGB4, ITGA4, ITGB7 MAPT 2212/4885ALDH1A1 702/4885MEN1 4689/4885

“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.