SCHEMBL6921675

SCHEMBL6921675

N=C(Nc1ccc(Cl)cc1Cl)N1Cc2cccc3cccc1c23

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
TAS1R2 Q8TE23 2/20 0.46
TRPV1 Q8NER1 1/20 0.43
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 4/20 0.37
GOT1 P17174 1/20 0.36
ATM Q13315 2/20 0.36
POLB P06746 1/20 0.36
HTT P42858 2/20 0.36
CACNA1G O43497 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL8306406 0.91 TRPV1 (0.43) TAS1R3TAS1R1TAS1R2TRPV1LMNA
SCHEMBL6927639 0.86 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2TRPV1LMNA
SCHEMBL6929369 0.83 ALDH1A1 (0.40) TAS1R3TAS1R1TAS1R2LMNASMN1; SMN2
SCHEMBL8301982 0.80 TRPV1 (0.40) TRPV1LMNASMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL6770312 0.79 KDM4E (0.45) NPC1RAB9AALDH1A1POLB
SCHEMBL8307416 0.77 POLB (0.44) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6928344 0.77 LMNA (0.39) TAS1R3TAS1R1TAS1R2LMNANPC1
SCHEMBL8334448 0.77 SMN1; SMN2 (0.40) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7103364 0.77 TAS1R3 (0.53) TAS1R3TAS1R1TAS1R2LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6769510 0.76 POLB (0.43) LMNASMN1; SMN2NPC1RAB9AALDH1A1

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
US-20030153763-A1 Pharmaceutically active compounds and methods of use WYETH 2003-08-14 US claimed
US-6514990-B2 Fused N-heterocylic rings substituted at the ring nitrogen with group of formula (R-N(-R1)-C(=NH)-); treating a neurodegenerative disease; N-(m-ethylphenyl)-1-indolinylcarboximidamide, for example SCION PHARMACEUTICALS, INC. 2003-02-04 US claimed
US-20020099084-A1 Pharmaceutically active compounds and methods of use WYETH 2002-07-25 US claimed
EP-0925300-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-30 EP claimed
EP-0925300-A4 1999-06-30 EP claimed
WO-1997030054-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-08-21 WO 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 TAS1R3 3854/4885TAS1R1 4499/4885TAS1R2 4360/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN TAS1R3 3854/4885TAS1R1 4499/4885TAS1R2 4360/4885

“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.