SCHEMBL6038388

SCHEMBL6038388

NCCc1[c]c2ccccc2cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.37
LOXL2 Q9Y4K0 4/20 0.37
HTR2A P28223 3/20 0.37
CYP2A6 P11509 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HRH1 P35367 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 2/20 0.31
HSD17B10 Q99714 2/20 0.31
AGXT P21549 1/20 0.31
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HBB P68871 1/20 0.30
HIF1A Q16665 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MC4R P32245 1/20 0.30
MC5R P33032 1/20 0.30

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
SCHEMBL295333 0.84
SCHEMBL6897074 0.83 LOXL2 (0.37) TAAR1LOXL2HTR2ACYP2A6ALDH1A1
SCHEMBL258245 0.80 KDM4E (0.33) CYP2A6ALDH1A1
SCHEMBL4841054 0.80 TDP1 (0.37) TDP1
SCHEMBL11424021 0.80 TDP1 (0.37) TDP1
SCHEMBL11863358 0.79 CYP2A6 (0.32) CYP2A6ALDH1A1HSD17B10TDP1
SCHEMBL6740961 0.78 KCNH2 (0.39) TAAR1LOXL2HTR2ACYP2A6SMN1; SMN2
SCHEMBL258351 0.77 TLR8 (0.36) CYP2A6SMN1; SMN2TDP1
SCHEMBL360721 0.76 KCNH2 (0.39) SMN1; SMN2ALDH1A1TDP1
SCHEMBL2498030 0.76 TSHR (0.33) CYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060292657-A1 Phex substrates and methods using same ENOBIA PHARMA INC. (CA) 2006-12-28 US disclosed
WO-2004085465-A1 PHEX SUBSTRATES AND METHODS USING SAME ENOBIA PHARMA INC. (CA) 2004-10-07 WO disclosed
US-20010046668-A1 Fluorescence polarization method for determining protease activity G.D. SEARLE & CO. (US) 2001-11-29 US disclosed
US-5708137-A Reagent and method for determining activity of herpes protease G.D. SEARLE & CO. (US) 1998-01-13 US disclosed
US-5506115-A FLUOROGENIC PEPTIDES AS SUBSTRATES FOR ASSAY G. D. SEARLE & CO. (US) 1996-04-09 US disclosed
EP-0435845-B1 Reagent and method for determining activity of retroviral protease UNIV WASHINGTON (US) 1994-12-28 EP disclosed
US-5164300-A Fluorescence, AIDS WASHINGTON UNIVERSITY (US) 1992-11-17 US disclosed
EP-0435845-A1 Reagent and method for determining activity of retroviral protease WASHINGTON UNIVERSITY (US) 1991-07-03 EP disclosed
US-5011910-A Heptapeptides having fluorogenic and quenching groups as substrates for protease; colorimetric analysis, efficiency WASHINGTON UNIVERSITY (US) 1991-04-30 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 (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-20010046668-A1 Fluorescence polarization method for determining protease activity PRSS1, PRSS3, MMP3 TAAR1 4844/4885LOXL2 2236/4885HTR2A 3907/4885

“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.