SCHEMBL3147293

SCHEMBL3147293

Nc1ccccc1Nc1cccc(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
GAA P10253 6/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
APP P05067 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
SNCA P37840 1/20 0.47
BLM P54132 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RAB9A P51151 2/20 0.45

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
SCHEMBL4063988 0.86 MAPT (0.48) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL29414658 0.85 MAPT (0.56) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL3607119 0.85 MAPT (0.56) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL4064030 0.82 GAA (0.52) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL4946590 0.81 GAA (0.50) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL2677107 0.80 MAPT (0.71) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL11946801 0.79 ALDH1A1 (0.44) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL2506416 0.78 GAA (0.45) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL1118486 0.75 KMT2A (0.56) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL3606443 0.73 ALDH1A1 (0.47) MAPTGAAALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687529-B2 Substituted propylamine derivatives and methods of their use WYETH LLC (US) 2010-03-30 US disclosed
EP-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP disclosed
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 US disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO disclosed
US-20070072928-A1 treatment of conditions ameliorated by monoamine reuptake including vasomotor symptoms, sexual dysfunction, gastrointestinal and genitourinary disorders, chronic fatigue syndrome, fibromylagia syndrome, nervous system disorders; 1'-[3-(methylamino)-1-phenylpropyl]spiro[cyclohexane-1,3'-indol]-2'(1'H)-one WYETH (US) 2007-03-29 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 (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-20070072928-A1 treatment of conditions ameliorated by monoamine reuptake including vasomotor symptoms, sexual dysfunction, gastrointestinal and genitourinary disorders, chronic fatigue syndrome, fibromylagia syndrome, nervous system disorders; 1'-[3-(methylamino)-1-phenylpropyl]spiro[cyclohexane-1,3'-indol]-2'(1'H)-one TPH1, HTR1A, HTR5A MAPT 3378/4885GAA 2027/4885ALDH1A1 252/4885
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 MAPT 97/4885GAA 525/4885ALDH1A1 687/4885

“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.