SCHEMBL4716260

SCHEMBL4716260

Nc1c(F)cccc1Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.55
GAA P10253 8/20 0.55
ALDH1A1 P00352 8/20 0.55
KDM4E B2RXH2 6/20 0.55
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
LMNA P02545 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 1/20 0.55
TDP1 Q9NUW8 5/20 0.52
GLA P06280 1/20 0.52
RECQL P46063 1/20 0.52
ALOX15 P16050 4/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 3/20 0.47
CYP3A4 P08684 2/20 0.47
TP53 P04637 2/20 0.47
TSHR P16473 2/20 0.47

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
SCHEMBL3147287 0.83 CXCL8 (0.44) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL4719017 0.83 P2RY4 (0.45) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL1704615 0.81 MAPT (0.56) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL30785818 0.81 MAPT (0.56) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL1118486 0.79 KMT2A (0.56) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL16934632 0.79 MAPT (0.72) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL31484215 0.79 MAPT (0.72) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL2784558 0.79 MAPT (0.59) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL15380140 0.76 MEN1 (0.52) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL18760113 0.76 MAPT (0.55) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118119612-A Novel compounds and pharmaceutical compositions comprising the same 萨皮恩斯生物有限公司 2024-05-31 CN disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 WO disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
CN-101309904-A 1- (1H-indol-1-yl) -3- (methylamino) -1-phenylpropan-2-ol derivatives and related compounds as monoamine reuptake modulators for the treatment of vasomotor symptoms (VMS) WYETH CORP (US) 2008-11-19 CN disclosed
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 US disclosed
EP-1931631-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP disclosed
WO-2007041023-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2007-04-12 WO disclosed
US-20070072897-A1 Phenylaminopropanol derivatives and methods of their use 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 (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-20070072897-A1 Phenylaminopropanol derivatives and methods of their use COMT, PNMT, GLS MAPT 1848/4885GAA 954/4885ALDH1A1 391/4885
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, AKT3 MAPT 1752/4885GAA 1526/4885ALDH1A1 1680/4885
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.