SCHEMBL4716893

SCHEMBL4716893

O=C(Nc1ccc2c(c1)CCN2)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.61
NPC1 O15118 6/20 0.61
TP53 P04637 1/20 0.61
GAA P10253 1/20 0.61
NFKB1 P19838 1/20 0.61
HTT P42858 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
PLAU P00749 1/20 0.54
KCNK3 O14649 2/20 0.53
KCNK9 Q9NPC2 1/20 0.53
MELK Q14680 2/20 0.51
MAPK14 Q16539 2/20 0.49
HSD17B3 P37058 1/20 0.49
JAK2 O60674 1/20 0.49
PTPN1 P18031 1/20 0.49
TMPRSS2 O15393 1/20 0.48
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48

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
SCHEMBL30847429 1.00 RAB9A (0.61) RAB9ANPC1TP53GAANFKB1
SCHEMBL6984836 0.92 RAB9A (0.66) RAB9ANPC1TP53GAANFKB1
SCHEMBL4717947 0.85 KCNK3 (0.56) RAB9ANPC1TP53SMN1; SMN2PLAU
SCHEMBL10365448 0.82 MAP4K1 (0.65) RAB9ANPC1TP53GAANFKB1
SCHEMBL27370339 0.80 NPC1 (0.64) RAB9ANPC1GAAMAPK14TMPRSS2
SCHEMBL30718462 0.80 NPC1 (0.64) RAB9ANPC1GAAMAPK14TMPRSS2
SCHEMBL31488089 0.79 NPC1 (0.51) RAB9ANPC1HTTSMN1; SMN2PLAU
SCHEMBL880654 0.79 NPC1 (0.51) RAB9ANPC1HTTSMN1; SMN2PLAU
SCHEMBL29642942 0.79 PLAU (0.52) NPC1PLAUMELKCA12CA2
SCHEMBL8197860 0.79 MELK (0.68) RAB9ANPC1TP53GAANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024006956-A9 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-04-11 WO disclosed
WO-2024006956-A9 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-04-11 WO disclosed
WO-2024006956-A2 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-01-04 WO 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
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 (1 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 RAB9A 2205/4885NPC1 2982/4885TP53 3442/4885

“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.