SCHEMBL7125057

SCHEMBL7125057

O=[N+]([O-])c1cccc(NC(=S)NCc2ccccn2)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.68
MAPT P10636 4/20 0.68
PKM P14618 1/20 0.68
SMN1; SMN2 Q16637 4/20 0.65
CYP1A2 P05177 3/20 0.65
CYP3A4 P08684 3/20 0.65
HPGD P15428 3/20 0.65
CYP2C19 P33261 2/20 0.65
RAB9A P51151 2/20 0.65
HTT P42858 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
THRB P10828 1/20 0.60
ALOX12 P18054 1/20 0.60
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
QPCT Q16769 1/20 0.56

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
SCHEMBL11645917 0.87 KMT2A (0.67) ALDH1A1MAPTSMN1; SMN2HPGDRAB9A
SCHEMBL11190896 0.79 ALDH1A1 (0.78) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL11647735 0.79 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL11644387 0.79 ALDH1A1 (0.51) ALDH1A1MAPTPKMSMN1; SMN2CYP1A2
SCHEMBL11646642 0.78 MAPT (0.77) ALDH1A1MAPTPKMSMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL11642746 0.78 ALDH1A1 (0.50) ALDH1A1MAPTPKMSMN1; SMN2CYP1A2
SCHEMBL30434704 0.78 KMT2A (0.82) ALDH1A1MAPTPKMSMN1; SMN2HPGD
SCHEMBL5455148 0.78 KMT2A (0.82) ALDH1A1MAPTPKMSMN1; SMN2HPGD
SCHEMBL11617206 0.77 KMT2A (0.54) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL11625714 0.77 CYP1A2 (1.00) ALDH1A1SMN1; SMN2CYP1A2CYP3A4HPGD

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
US-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 WO disclosed
US-4112100-A INCREASING THE ENDOGENOUS PRODUCTION OF PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-09-05 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 ALDH1A1 2482/4885MAPT 3896/4885PKM 2374/4885

“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.