SCHEMBL7106340

SCHEMBL7106340

N=C(Nc1ccc(Cl)c(Cl)c1Cl)N1CCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 2/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MAPT P10636 4/20 0.43
TSHR P16473 2/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NOTUM Q6P988 1/20 0.42
ALDH1A1 P00352 1/20 0.41
USP2 O75604 1/20 0.41
SPR P35270 1/20 0.41

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
SCHEMBL6776136 0.90 SIGMAR1 (0.51) SIGMAR1NPC1RAB9ASMN1; SMN2TP53
Hydrochloric Acid SCHEMBL6769574 0.88 SIGMAR1 (0.50) SIGMAR1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL6774950 0.85 SIGMAR1 (0.55) SIGMAR1NPC1RAB9ASMN1; SMN2TP53
Hydrochloric Acid SCHEMBL6769759 0.84 SIGMAR1 (0.54) SIGMAR1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL7103364 0.83 TAS1R3 (0.53) SIGMAR1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL6775299 0.83 SIGMAR1 (0.50) SIGMAR1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL6765702 0.79 SIGMAR1 (0.51) SIGMAR1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL7100142 0.77 SIGMAR1 (0.55) SIGMAR1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL6769989 0.77 SIGMAR1 (0.59) SIGMAR1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL6768941 0.77 SIGMAR1 (0.55) SIGMAR1NPC1RAB9ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153763-A1 Pharmaceutically active compounds and methods of use WYETH 2003-08-14 US claimed
US-20020099084-A1 Pharmaceutically active compounds and methods of use WYETH 2002-07-25 US claimed
US-6358993-B1 TREATMENT OF NEUROLOGICAL INJURY AND NEURODEGENERATIVE DISORDERS; NEUROPROTECTIVE AGENTS; SUBSTITUTED INDOLINYL AND INDOLINYL GUANIDINE DERIVATIVES CENES PHARMACEUTICALS, INC. 2002-03-19 US claimed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO 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-20030153763-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN SIGMAR1 2813/4885NPC1 246/4885RAB9A 1903/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN SIGMAR1 2813/4885NPC1 246/4885RAB9A 1903/4885

“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.