SCHEMBL7613232

SCHEMBL7613232

Nc1nc2ccccc2c(=O)n1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 9/20 0.48
TSHR P16473 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
ELANE P08246 1/20 0.47
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL13319273 0.82 MEN1 (0.56) KDM4ENPSR1ALDH1A1TSHRL3MBTL1
SCHEMBL7610887 0.78 POLB (0.47) KDM4ENPSR1ALDH1A1TSHRL3MBTL1
SCHEMBL14588671 0.77 LMNA (0.60) KDM4EALDH1A1L3MBTL1POLBMEN1
SCHEMBL14588669 0.75 KMT2A (0.50) KDM4ENPSR1ALDH1A1TSHRL3MBTL1
SCHEMBL7606717 0.75 KDM4E (0.58) KDM4ENPSR1ALDH1A1TSHRCYP1A2
SCHEMBL14588660 0.74 ALDH1A1 (0.56) KDM4ENPSR1ALDH1A1TSHRL3MBTL1
SCHEMBL14588661 0.74 CYP1A2 (0.66) KDM4ENPSR1ALDH1A1TSHRL3MBTL1
SCHEMBL14588665 0.74 CYP1A2 (0.62) KDM4ENPSR1ALDH1A1TSHRCYP1A2
SCHEMBL860065 0.74 ALDH1A1 (0.56) KDM4ENPSR1ALDH1A1TSHRL3MBTL1
SCHEMBL8995752 0.73 PNP (0.41) KDM4EALDH1A1TSHRCYP1A2CYP3A4

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 KDM4E 3028/4885NPSR1 1658/4885ALDH1A1 417/4885

“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.