SCHEMBL7101840

SCHEMBL7101840

CSc1ccccc1NC(=N)N1CCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.53
MAPT P10636 5/20 0.48
ALDH1A1 P00352 3/20 0.48
NOTUM Q6P988 1/20 0.47
USP2 O75604 1/20 0.45
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
NFKB1 P19838 5/20 0.45
NFKB2 Q00653 5/20 0.45
RELA Q04206 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
PKM P14618 3/20 0.45
TP53 P04637 2/20 0.45
MAPK1 P28482 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 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
SCHEMBL6769989 0.83 SIGMAR1 (0.59) SIGMAR1MAPTALDH1A1NOTUMUSP2
Hydrochloric Acid SCHEMBL6768842 0.82 SIGMAR1 (0.58) SIGMAR1MAPTALDH1A1NOTUMUSP2
SCHEMBL6768941 0.81 SIGMAR1 (0.55) SIGMAR1MAPTALDH1A1NOTUMUSP2
SCHEMBL6774950 0.81 SIGMAR1 (0.55) SIGMAR1MAPTALDH1A1NOTUMNPC1
SCHEMBL6774845 0.80 NPC1 (0.52) SIGMAR1MAPTALDH1A1NOTUMUSP2
SCHEMBL7099588 0.80 GAA (0.62) SIGMAR1MAPTALDH1A1NPC1RAB9A
SCHEMBL8440692 0.80 MAPT (0.74) SIGMAR1MAPTALDH1A1NOTUMUSP2
SCHEMBL7098713 0.80 SIGMAR1 (0.51) SIGMAR1MAPTALDH1A1NOTUMUSP2
Hydrochloric Acid SCHEMBL6769759 0.80 SIGMAR1 (0.54) SIGMAR1MAPTALDH1A1NOTUMNPC1
Hydrochloric Acid SCHEMBL6769316 0.79 NPC1 (0.51) SIGMAR1MAPTALDH1A1NOTUMUSP2

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 2813/4885MAPT 122/4885ALDH1A1 479/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN SIGMAR1 2813/4885MAPT 122/4885ALDH1A1 479/4885

“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.