SCHEMBL874202

SCHEMBL874202

CCCC(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.70
KCNK3 O14649 2/20 0.68
KCNK9 Q9NPC2 2/20 0.68
TP53 P04637 2/20 0.65
MAPT P10636 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.61
HTT P42858 1/20 0.61
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59

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
SCHEMBL882800 0.88 F2R (0.67) F2RKCNK3TP53SMN1; SMN2HTT
SCHEMBL8278749 0.87 F2R (0.65) F2RMAPTSMN1; SMN2HTTMEN1
SCHEMBL10069466 0.86 F2R (0.82) F2RKCNK3KCNK9TP53SMN1; SMN2
SCHEMBL882782 0.84 F2R (0.70) F2RTP53SMN1; SMN2HTTMEN1
SCHEMBL882778 0.83 F2R (1.00) F2RKCNK3KCNK9TP53SMN1; SMN2
SCHEMBL3675463 0.82 KCNK3 (0.84) KCNK3KCNK9MAPTSMN1; SMN2HTT
SCHEMBL10975643 0.82 F2R (0.73) F2RTP53MAPTRAB9A
SCHEMBL10788653 0.81 ALDH1A1 (0.64) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL882798 0.81 F2R (0.68) F2RTP53SMN1; SMN2HTTNPC1
SCHEMBL882793 0.81 F2R (0.66) F2RTP53SMN1; SMN2HTTMEN1

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-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
US-20130331411-A1 COMPOUNDS AND METHODS FOR TREATING DISEASES MEDIATED BY PROTEASE ACTIVATED RECEPTORS BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2013-12-12 US disclosed
WO-2012040636-A2 COMPOUNDS AND METHODS FOR TREATING DISEASES MEDIATED BY PROTEASE ACTIVATED RECEPTORS THE BROAD INSTITUTE, INC. (US) 2012-03-29 WO disclosed
WO-2012040636-A2 COMPOUNDS AND METHODS FOR TREATING DISEASES MEDIATED BY PROTEASE ACTIVATED RECEPTORS THE BROAD INSTITUTE, INC. (US) 2012-03-29 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-20130331411-A1 COMPOUNDS AND METHODS FOR TREATING DISEASES MEDIATED BY PROTEASE ACTIVATED RECEPTORS F2R, F2RL1, F2RL3 F2R 1/4885KCNK3 4408/4885KCNK9 4339/4885

“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.