SCHEMBL2007285

SCHEMBL2007285

NCc1ccc(CN)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.48
TAAR1 Q96RJ0 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
MAOB P27338 2/20 0.39
IDO1 P14902 2/20 0.38
AGXT P21549 2/20 0.38
ABAT P80404 1/20 0.37
PNMT P11086 1/20 0.37
ENPP2 Q13822 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
CYP2A6 P11509 1/20 0.36

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
SCHEMBL6563067 0.86 TAAR1 (0.52) TAAR1MAOBPNMTCYP2A6
Hydrochloric Acid SCHEMBL6563097 0.85 TAAR1 (0.50) TAAR1MAOBPNMT
SCHEMBL2389571 0.85 TAAR1 (0.45) LOXL2TAAR1IDO1AGXTCYP2A6
SCHEMBL2948434 0.85 CYP4F2 (0.40) LOXL2TAAR1IDO1AGXTABAT
SCHEMBL1695325 0.85 CSNK2A1 (0.45) LOXL2TAAR1HRH3MAOB
SCHEMBL18562850 0.85 LOXL2 (0.43) LOXL2TAAR1HRH3MAOBIDO1
SCHEMBL6564877 0.83 CYP2D6 (0.41) LOXL2TAAR1PNMTCYP2A6
SCHEMBL25240608 0.81 LOXL2 (0.40) LOXL2TAAR1HRH3MAOBIDO1
SCHEMBL25217284 0.81 LOXL2 (0.37) LOXL2TAAR1MAOBIDO1AGXT
Hydrochloric Acid SCHEMBL6563201 0.81 CYP1A2 (0.40) LOXL2TAAR1MAOBIDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8715635-B2 Frictionless molecular rotary motors TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2014-05-06 US disclosed
US-8715635-B2 Frictionless molecular rotary motors TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2014-05-06 US disclosed
CN-102557879-A Preparation method for 1,4-di(hydroxy methyl)-2-fluorobenzene SHANGHAI SINOFLUORO SCIENT CO 2012-07-11 CN disclosed
CN-102531847-A Method for preparing 4-methyl-3-fluorobenzyl alcohol SHANGHAI SINOFLUORO SCIENT CO 2012-07-04 CN disclosed
US-7964633-B2 such as N,N'-[hexane-1,6-diylbis(iminocarbonyl)]bis(3-chlorobenzenesulfonamide), used as Fructose-1,6-bisphosphatase inhibitors; metabolic disorders such as diabetes HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
EP-2081889-B1 SULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-12-22 EP disclosed
US-20100016610-A1 FRICTIONLESS MOLECULAR ROTARY MOTORS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2010-01-21 US disclosed
EP-2081889-A1 SULFONAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-07-29 EP disclosed
WO-2008096360-A2 FRICTIONLESS MOLECULAR ROTARY MOTORS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2008-08-14 WO disclosed
US-20080085928-A1 Sulfonamide derivatives HOFFMANN-LA ROCHE INC. 2008-04-10 US disclosed
WO-2008037628-A1 SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-03 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-20080085928-A1 Sulfonamide derivatives SULT2A1, SULT1A1, SULT1E1 LOXL2 2708/4885TAAR1 1945/4885HRH3 1858/4885
US-20100016610-A1 FRICTIONLESS MOLECULAR ROTARY MOTORS DYNLL2, ATXN2L, DYNLL1 LOXL2 3736/4885TAAR1 3402/4885HRH3 1958/4885

“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.