SCHEMBL3975239

SCHEMBL3975239

Cc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 14/20 0.46
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
CNR1 P21554 1/20 0.41
EDNRB P24530 3/20 0.41
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL3972434 0.91 MAPT (0.49) EDNRAMAPTMEN1KMT2AKDM4E
SCHEMBL532974 0.90 EDNRA (0.49) EDNRAMAPTMEN1KMT2AKDM4E
SCHEMBL3977551 0.85 MEN1 (0.48) EDNRAMAPTMEN1KMT2AKDM4E
SCHEMBL3979216 0.83 RAB9A (0.42) EDNRAMAPTMEN1KMT2AKDM4E
SCHEMBL532858 0.83 EDNRA (0.47) EDNRAMAPTMEN1KMT2AKDM4E
SCHEMBL3974388 0.83 MAPT (0.49) EDNRAMAPTMEN1KMT2AKDM4E
SCHEMBL533012 0.79 MEN1 (0.56) EDNRAMAPTMEN1KMT2AKDM4E
SCHEMBL3972658 0.78 ALDH1A1 (0.42) EDNRAMAPTMEN1KMT2AKDM4E
SCHEMBL3978023 0.78 MEN1 (0.40) EDNRAMAPTMEN1KMT2AKDM4E
SCHEMBL7048202 0.78 EDNRA (0.77) EDNRAEDNRB

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-7579340-B2 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists PFIZER INC (US) 2009-08-25 US claimed
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. 2007-12-20 US claimed
US-7288538-B2 Cardiovascular homeostasis through combination of direct neuronal control and systemic neurohormonal activation ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-10-30 US claimed
US-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-03 US claimed
US-7579340-B2 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists PFIZER INC (US) 2009-08-25 US disclosed
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. 2007-12-20 US disclosed
US-7288538-B2 Cardiovascular homeostasis through combination of direct neuronal control and systemic neurohormonal activation ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-10-30 US disclosed
US-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-03 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-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 EDNRA 129/4885MAPT 2351/4885MEN1 3986/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 EDNRA 129/4885MAPT 2351/4885MEN1 3986/4885

“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.