SCHEMBL9447608

SCHEMBL9447608

O=C(Nc1ccc2c(c1)CCC2)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.65
RAB9A P51151 6/20 0.65
TP53 P04637 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 2/20 0.60
MAPT P10636 1/20 0.60
TSHR P16473 1/20 0.60
ATM Q13315 1/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MGLL Q99685 2/20 0.59
GAA P10253 1/20 0.58
NFKB1 P19838 1/20 0.58
HTT P42858 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
POLB P06746 1/20 0.55
PSEN1 P49768 1/20 0.54
PSEN2 P49810 1/20 0.54
APH1B Q8WW43 1/20 0.54

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
SCHEMBL6191868 0.90 NPC1 (0.57) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL17797704 0.87 NPC1 (0.52) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL17813395 0.87 NPC1 (0.52) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL6212186 0.86 BAZ2B (0.57) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL17797663 0.86 TMEM97 (0.55) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL17797565 0.85 TMEM97 (0.54) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL14429561 0.84 HRH3 (0.59) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL30086241 0.84 NPC1 (0.54) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL26506778 0.84 NPC1 (0.54) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL4877801 0.84 MAOA (0.54) NPC1RAB9ATP53SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11091421-B2 Benzene fused heterocyclic derivative and pharmaceutical composition comprising the same TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2021-08-17 US disclosed
US-20200190010-A1 BENZENE FUSED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2020-06-18 US disclosed
WO-2019051222-A1 BENZENE FUSED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2019-03-14 WO disclosed
US-5225565-A Antibacterial 3-(fused-ring substituted)phenyl-5β-amidomethyloxazolidin-2-ones THE UPJOHN COMPANY (US) 1993-07-06 US disclosed
US-5182403-A Bactericides, treatment of AIDS THE UPJOHN COMPANY (US) 1993-01-26 US disclosed
US-5164510-A Bactericides THE UPJOHN COMPANY (US) 1992-11-17 US disclosed
EP-0434714-A1 IN POSITION 3 SUBSTITUTED-5-BETA-AMIDOMETHYL-OXAZOLIDIN-2-ONES THE UPJOHN COMPANY (US) 1991-07-03 EP disclosed
WO-1990002744-A1 IN POSITION 3 SUBSTITUTED-5-BETA-AMIDOMETHYL-OXAZOLIDIN-2-ONES THE UPJOHN COMPANY (US) 1990-03-22 WO disclosed
EP-0359418-A1 5'-Indolinyl-5beta-amidomethyloxazolidin-2-ones, 3-(fused-ring substituted)phenyl-5beta-amidomethyloxazolidin-2-ones and 3-(nitrogen substituted)phenyl-5beta-amidomethyloxazolidin-2-ones THE UPJOHN COMPANY (US) 1990-03-21 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-11091421-B2 Benzene fused heterocyclic derivative and pharmaceutical composition comprising the same RORB, RORC, NR3C1 NPC1 2271/4885RAB9A 2336/4885TP53 2486/4885
US-20200190010-A1 BENZENE FUSED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME RORB, RORC, NR3C1 NPC1 2271/4885RAB9A 2336/4885TP53 2486/4885

“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.