SCHEMBL6928344

SCHEMBL6928344

Cc1cc(F)ccc1NC(=N)N1Cc2cccc3cccc1c23

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39
SIGMAR1 Q99720 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
KDM4E B2RXH2 1/20 0.34
AVPR2 P30518 2/20 0.33
AVPR1A P37288 2/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
PANK3 Q9H999 1/20 0.32
HSD17B3 P37058 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL8334448 0.84 SMN1; SMN2 (0.40) LMNASIGMAR1KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL8301740 0.83 SMN1; SMN2 (0.39) LMNASIGMAR1KDM4EALDH1A1MAPT
SCHEMBL8307416 0.82 POLB (0.44) LMNATHRBKDM4ETP53ALDH1A1
Hydrochloric Acid SCHEMBL6769510 0.81 POLB (0.43) LMNATHRBKDM4ETP53ALDH1A1
Hydrochloric Acid SCHEMBL6765727 0.80 NPC1 (0.41) THRBTP53ALDH1A1MAPTNPC1
Hydrochloric Acid SCHEMBL6770312 0.77 KDM4E (0.45) SIGMAR1KDM4EALDH1A1MAPTKMT2A
SCHEMBL6921675 0.77 TAS1R3 (0.46) LMNATAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL6927733 0.77 GAA (0.46) LMNAKDM4ETP53ALDH1A1MAPT
SCHEMBL8338426 0.76 DRD2 (0.42) SIGMAR1ALDH1A1KMT2ANPC1
SCHEMBL6926368 0.76 MEN1 (0.50) LMNATAS1R3TAS1R1TAS1R2KDM4E

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 LMNA 1266/4885THRB 4838/4885SIGMAR1 2813/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN LMNA 1266/4885THRB 4838/4885SIGMAR1 2813/4885

“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.