SCHEMBL1320543

SCHEMBL1320543

COc1ccc(C(=O)N[C@H](C)c2ccc3ccccc3c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
UTS2R Q9UKP6 2/20 0.60
MCHR1 Q99705 1/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
ROCK2 O75116 4/20 0.59
ROCK1 Q13464 4/20 0.59
TAS1R3 Q7RTX0 1/20 0.58
TAS1R1 Q7RTX1 1/20 0.58
ALOX5 P09917 1/20 0.58
CNR1 P21554 1/20 0.57
MMP9 P14780 1/20 0.57
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
CYP3A4 P08684 2/20 0.55
ALDH1A1 P00352 1/20 0.55
PRKG1 Q13976 2/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55

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
SCHEMBL12121924 0.87 MMP9 (0.64) MEN1KMT2AUTS2RNPC1ROCK2
SCHEMBL1319215 0.87 GPR139 (0.65) MEN1KMT2ANPC1RAB9AROCK2
SCHEMBL1318145 0.86 HPGDS (0.60) MEN1KMT2AUTS2RNPC1RAB9A
SCHEMBL28354065 0.85 TAS1R3 (0.70) MEN1KMT2ANPC1RAB9ATAS1R3
SCHEMBL1320071 0.85 MMP9 (0.58) MEN1KMT2ANPC1RAB9AROCK2
SCHEMBL5683032 0.84 SMN1; SMN2 (0.68) NPC1RAB9ATAS1R3TAS1R1CNR1
SCHEMBL2641131 0.84 SMN1; SMN2 (0.68) NPC1RAB9ATAS1R3TAS1R1CNR1
SCHEMBL29375958 0.83 MMP9 (0.56) MEN1KMT2AUTS2RNPC1ROCK2
SCHEMBL3102386 0.81 ROCK2 (0.72) UTS2RROCK2ROCK1MMP9CYP3A4
SCHEMBL12279565 0.80 CA1 (0.70) MEN1KMT2ANPC1RAB9ATAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269834-A1 COMPOUNDS AND METHODS FOR TREATING RESPIRATORY DISEASES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-11-03 US disclosed
WO-2010022355-A1 COMPOUNDS AND METHODS FOR TREATING RESPIRATORY DISEASES PURDUE RESEARCH FOUNDATION (US) 2010-02-25 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 (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-20110269834-A1 COMPOUNDS AND METHODS FOR TREATING RESPIRATORY DISEASES SARS1, ACE2, ACE MEN1 4233/4885KMT2A 3537/4885UTS2R 2143/4885

“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.