SCHEMBL6770939

SCHEMBL6770939

CCC(C)c1ccc(NC(=N)N2CCc3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.48
RAB9A P51151 8/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
NFKB1 P19838 4/20 0.48
NFKB2 Q00653 4/20 0.48
RELA Q04206 4/20 0.48
TP53 P04637 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SIGMAR1 Q99720 1/20 0.47
POLB P06746 4/20 0.47
MAPT P10636 5/20 0.46
PKM P14618 3/20 0.46
MAOB P27338 1/20 0.46
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL6769586 0.94 MEN1 (0.51) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL8335495 0.88 HSD17B3 (0.45) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6768621 0.80 NPC1 (0.68) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
Hydrochloric Acid SCHEMBL6775006 0.79 NPC1 (0.66) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL7100142 0.78 SIGMAR1 (0.55) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL7098658 0.78 POLB (0.47) MEN1KMT2ASIGMAR1POLBMAPT
SCHEMBL7104842 0.78 RAB9A (0.74) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL7098754 0.77 NPC1 (0.49) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL7099371 0.75 NPC1 (0.73) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6768498 0.75 SIGMAR1 (0.55) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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 13 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
EP-0925300-A4 1999-06-30 EP claimed
EP-0925300-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-30 EP claimed
WO-1997030054-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-08-21 WO claimed
US-6770668-B2 INDOLINYL, 1,2,3,4-TETRAHYDROQUINOLINYL, 1,2,3,4-TETRAHYDRO ISOQUINOLINYL, BENZ(CD)INDOLINYL AND 5,6-DIHYDROPHEN ANTHRIDINYL COMPOUNDS; TREATING NEURODEGENERATIVE DISORDERS WYETH 2004-08-03 US disclosed
US-20030153763-A1 Pharmaceutically active compounds and methods of use WYETH 2003-08-14 US disclosed
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 disclosed
US-20020099084-A1 Pharmaceutically active compounds and methods of use WYETH 2002-07-25 US disclosed
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 disclosed
US-6025355-A SUBSTITUTED INDOLINYL AND DERIVATIVES THEREOF, NEUROLOGICAL INJURY AND NEURODEGENERATIVE DISORDERS. CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-02-15 US disclosed
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 NPC1 246/4885RAB9A 1903/4885SMN1; SMN2 104/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN NPC1 246/4885RAB9A 1903/4885SMN1; SMN2 104/4885

“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.