SCHEMBL5263187

SCHEMBL5263187

Nc1ccccc1Sc1c(Cl)cncc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 1/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
PDE7A Q13946 5/20 0.43
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.38
STAT3 P40763 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4096798 0.82 TSHR (0.50) ALDH1A1PKMLMNAMEN1KMT2A
SCHEMBL713707 0.72 MEN1 (0.68) ALDH1A1PKMLMNAMEN1KMT2A
SCHEMBL29869345 0.72 MEN1 (0.68) ALDH1A1PKMLMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL8645056 0.70 MEN1 (0.65) ALDH1A1PKMLMNAMEN1KMT2A
SCHEMBL6003193 0.70 MEN1 (0.65) ALDH1A1PKMLMNAMEN1KMT2A
SCHEMBL4099367 0.67 LMNA (0.54) ALDH1A1PKMLMNAMEN1KMT2A
SCHEMBL641211 0.67 DDAH1 (0.52) ALDH1A1PKMLMNAMEN1KMT2A
SCHEMBL31016398 0.67 CYP1A2 (0.53) ALDH1A1PKMLMNAMEN1KMT2A
SCHEMBL1713296 0.67 CYP1A2 (0.53) ALDH1A1PKMLMNAMEN1KMT2A
SCHEMBL1341957 0.67 ITGB2 (0.62) ALDH1A1PKMMEN1KMT2AMAPT

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-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

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 ALDH1A1 708/4885PKM 3734/4885LMNA 2794/4885
US-20070238763-A1 Urea derivatives as integrin a4 antagonists ITGB4, ITGA4, ITGB7 ALDH1A1 702/4885PKM 4257/4885LMNA 3722/4885

“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.