SCHEMBL7750404

SCHEMBL7750404

N=C(N)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.65
ALDH1A1 P00352 6/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
NPSR1 Q6W5P4 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.57
DUSP3 P51452 1/20 0.55
PTPN5 P54829 1/20 0.55
PTPN11 Q06124 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
LMNA P02545 2/20 0.54
POLB P06746 2/20 0.53
GAA P10253 2/20 0.53
TDP2 O95551 1/20 0.53
ATM Q13315 1/20 0.53
VCAM1 P19320 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL7750400 1.00 MAPT (0.65) MAPTALDH1A1MEN1KMT2ANPSR1
Hydrochloric Acid SCHEMBL6511812 0.99 MAPT (0.63) MAPTALDH1A1MEN1KMT2ANPSR1
Hydrochloric Acid SCHEMBL6511809 0.99 MAPT (0.63) MAPTALDH1A1MEN1KMT2ANPSR1
Acetic Acid SCHEMBL916608 0.94 MAPT (0.61) MAPTALDH1A1MEN1KMT2ANPSR1
Acetic Acid SCHEMBL916606 0.94 MAPT (0.61) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL13673651 0.86 MAPT (0.63) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL13673649 0.86 MAPT (0.63) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL13673653 0.86 MAPT (0.67) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL17044430 0.84 MAPT (0.52) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL17044432 0.84 MAPT (0.52) MAPTALDH1A1MEN1KMT2ANPSR1

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
WO-2001025192-A1 GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE MELACURE THERAPEUTICS AB (SE) 2001-04-12 WO claimed
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-09-03 US disclosed
WO-2001025192-A1 GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE MELACURE THERAPEUTICS AB (SE) 2001-04-12 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 (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-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 MAPT 2646/4885ALDH1A1 4570/4885MEN1 2524/4885

“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.