SCHEMBL4716263

SCHEMBL4716263

Nc1ccccc1Nc1cccc(F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
GAA P10253 5/20 0.63
ALDH1A1 P00352 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
RAB9A P51151 3/20 0.63
KDM4E B2RXH2 5/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
TP53 P04637 2/20 0.53
ALOX15 P16050 2/20 0.53
HSD17B10 Q99714 2/20 0.53
APP P05067 1/20 0.53
HPGD P15428 1/20 0.53
SNCA P37840 1/20 0.53
BLM P54132 1/20 0.53

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
SCHEMBL29414653 1.00 MAPT (0.63) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL7166997 0.86 MAPT (0.75) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL2508110 0.85 ALDH1A1 (0.46) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL2508112 0.85 MAPT (0.61) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL7389020 0.81 MAPT (0.67) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL7171246 0.81 MAPT (0.67) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL26691176 0.81 ABCG2 (0.49) MAPTGAASMN1; SMN2RAB9AKDM4E
SCHEMBL4719017 0.80 P2RY4 (0.45) MAPTGAAALDH1A1SMN1; SMN2RAB9A
Methane SCHEMBL28002260 0.79 MAPT (0.64) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL1336714 0.79 MAPT (0.70) MAPTGAAALDH1A1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020199997-A1 SUBSTITUTED 1,3,5-TRIAZINE COMPOUND, COMPOSITION AND APPLICATION THEREOF 吉林省元合电子材料有限公司 2020-10-08 WO disclosed
CN-101600701-A Arylsulfonamide derivatives and methods of use thereof WYETH CORP (US) 2009-12-09 CN 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
EP-0252507-B1 2-(4-PYRIDYLAMINOMETHYL)-BENZIMIDAZOLE DERIVATIVES HAVING ANTIVIRAL ACTIVITY Maruishi Seiyaku Kabushiki Kaisha (JP) 1990-10-10 EP disclosed
US-4818761-A VIRICIDES FOR COMMON COLD, HEPATITIS, POLIOMYELITIS MARUISHI SEIYAKU KABUSHIKI KAISHA (JP) 1989-04-04 US disclosed
EP-0252507-A1 2-(4-Pyridylaminomethyl)-benzimidazole derivatives having antiviral activity Maruishi Seiyaku Kabushiki Kaisha (JP) 1988-01-13 EP 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-20070072897-A1 Phenylaminopropanol derivatives and methods of their use COMT, PNMT, GLS MAPT 1848/4885GAA 954/4885ALDH1A1 391/4885
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.