SCHEMBL405824

SCHEMBL405824

Cc1ccc([N+](=O)[O-])c(/C=C/N2CCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.44
ALDH1A1 P00352 11/20 0.43
MAPT P10636 6/20 0.43
L3MBTL1 Q9Y468 5/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL438423 0.82 LMNA (0.60) TSHRALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL405334 0.82 ALDH1A1 (0.43) HPGDALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL406583 0.82 LMNA (0.60) TSHRALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL14484382 0.82 HPGD (0.43) HPGDALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL14484379 0.82 HPGD (0.43) HPGDALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL10325398 0.82 BACE1 (0.51) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL11840667 0.82 BACE1 (0.51) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL8533307 0.80 ALDH1A1 (0.62) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL6194046 0.80 ALDH1A1 (0.62) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL30603181 0.80 ALDH1A1 (0.62) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 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 (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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 TSHR 82/4885CYP3A4 2376/4885HPGD 252/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 TSHR 82/4885CYP3A4 2376/4885HPGD 252/4885

“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.