SCHEMBL1163053

SCHEMBL1163053

CNCCc1cn(C)c2ccc(F)c(OCc3ccc(Cl)cc3Cl)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
BLM P54132 1/20 0.37
SNCA P37840 1/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
P2RX7 Q99572 1/20 0.36
HTT P42858 2/20 0.35
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
ADRB2 P07550 1/20 0.35
INPPL1 O15357 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPT P10636 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL1163156 0.88 TAAR1 (0.47) SMN1; SMN2ALDH1A1SNCAKMT2ALMNA
SCHEMBL1163258 0.86 TAAR1 (0.41) SMN1; SMN2SNCAKMT2AADRB2MEN1
SCHEMBL1162963 0.84 TAAR1 (0.46) SNCAKMT2ALMNAKDM4EMAPT
SCHEMBL12559301 0.83 TP53 (0.37) SMN1; SMN2ALDH1A1NPSR1SNCAKMT2A
SCHEMBL1163327 0.82 TAAR1 (0.50) SMN1; SMN2ALDH1A1KMT2ALMNATP53
SCHEMBL1163093 0.82 TAAR1 (0.43) SNCAADRB2HTR2AHTR2CSLC6A4
SCHEMBL1162935 0.81 SLC6A4 (0.38) SNCAADRB2HTR2AHTR2CSLC6A4
SCHEMBL1163145 0.80 TAAR1 (0.42) ALDH1A1SNCAKMT2ALMNATP53
SCHEMBL19650679 0.80 TAAR1 (0.40) ALDH1A1SNCAHTR2CSLC6A4
SCHEMBL1163064 0.80 TAAR1 (0.48) SNCAP2RX7ADRB2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US claimed
EP-2464227-A1 COMPOUNDS AND METHODS OF USE THEREOF Galenea Corporation (US) 2012-06-20 EP claimed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US claimed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 WO claimed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
EP-2464227-A1 COMPOUNDS AND METHODS OF USE THEREOF Galenea Corporation (US) 2012-06-20 EP disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 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 (3 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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT SMN1; SMN2 1404/4885ALDH1A1 277/4885NPSR1 492/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT SMN1; SMN2 1404/4885ALDH1A1 277/4885NPSR1 492/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT SMN1; SMN2 1404/4885ALDH1A1 277/4885NPSR1 492/4885

“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.