SCHEMBL7606037

SCHEMBL7606037

N=Pc1ccc([N+](=O)[O-])cc1C(=O)NOCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.61
RAB9A P51151 4/20 0.61
MEN1 O00255 8/20 0.46
KMT2A Q03164 8/20 0.46
MAPT P10636 7/20 0.46
GAA P10253 1/20 0.46
PKM P14618 2/20 0.45
PTGS2 P35354 1/20 0.45
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
CYP19A1 P11511 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 2/20 0.44

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
SCHEMBL7945840 0.86 RAB9A (0.70) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL28317903 0.81 RAB9A (0.67) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7613161 0.81 RAB9A (0.67) NPC1RAB9AMEN1KMT2APTGS2
SCHEMBL7610748 0.80 NPC1 (0.58) NPC1RAB9AGAAPTGS2HDAC6
SCHEMBL1083061 0.76 RAB9A (0.74) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6035984 0.73 NPC1 (0.53) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL5584124 0.73 NPC1 (0.61) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL20695012 0.70 RAB9A (0.60) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL18229478 0.69 NPC1 (0.70) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3687614 0.69 RAB9A (0.67) NPC1RAB9AMAPTPTGS2TSHR

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-20020082268-A1 Therapeutic compounds for the treatment of asthma and allergy, and methods of use thereof SEPRACOR INC. 2002-06-27 US disclosed
WO-2001070737-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ASTHMA AND ALLERGY AND USE THEREOF SEPRACOR, INC. (US) 2001-09-27 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-20020082268-A1 Therapeutic compounds for the treatment of asthma and allergy, and methods of use thereof LTC4S, LTA4H, HRH2 NPC1 2272/4885RAB9A 2823/4885MEN1 3193/4885

“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.