SCHEMBL1435643

SCHEMBL1435643

O=C(O)c1csc(NN=CC=Cc2ccccc2[N+](=O)[O-])n1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.61
MAPT P10636 7/20 0.61
RAB9A P51151 7/20 0.61
NPC1 O15118 6/20 0.61
KMT2A Q03164 6/20 0.61
GAA P10253 5/20 0.61
MEN1 O00255 5/20 0.61
LMNA P02545 5/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
HTT P42858 1/20 0.61
MAPK1 P28482 1/20 0.55
PKM P14618 1/20 0.54
KDM4E B2RXH2 1/20 0.50
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL1435596 1.00 ALDH1A1 (0.61) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL1435417 0.91 MAPT (0.52) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL1435601 0.85 ALDH1A1 (0.55) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL1435442 0.82 MAPT (0.56) ALDH1A1MAPTRAB9AKMT2AGAA
SCHEMBL1435501 0.82 MAPT (0.56) ALDH1A1MAPTRAB9AKMT2AGAA
SCHEMBL1435419 0.78 MAPT (0.48) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL1435482 0.77 ALDH1A1 (0.56) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL4094409 0.69 MEN1 (0.73) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL4094410 0.69 MEN1 (0.73) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL4098407 0.68 MEN1 (0.68) ALDH1A1MAPTRAB9AKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898908-B1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICAMENT TROPHOS (FR) 2011-03-30 EP claimed
US-20090203747-A1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE TROPHOS PARC SCIENTIFIQUE LUMINY (FR) 2009-08-13 US claimed
US-20090203747-A1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE TROPHOS PARC SCIENTIFIQUE LUMINY (FR) 2009-08-13 US 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 (1 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-20090203747-A1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE NLN, NQO1, APP ALDH1A1 625/4885MAPT 31/4885RAB9A 2239/4885

“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.