SCHEMBL6398641

SCHEMBL6398641

Cc1occc1N(C(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 3/20 0.41
TRPM8 Q7Z2W7 2/20 0.41
GAA P10253 2/20 0.40
USP2 O75604 2/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 2/20 0.39
ESR2 Q92731 1/20 0.39
POLB P06746 3/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 5/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL14740524 0.75 HPGD (0.46) NPSR1KMT2ATRPM8TSHRNPC1
SCHEMBL28335619 0.74 NPSR1 (0.50) NPSR1KMT2ATRPM8TSHRNPC1
SCHEMBL2092543 0.74 TRPM8 (0.51) NPSR1CYP3A4KMT2ATRPM8TSHR
SCHEMBL1037465 0.73 NPSR1 (0.41) NPSR1KMT2ATRPM8GAATSHR
SCHEMBL11740090 0.72 KMT2A (0.34) CYP2C19CYP3A4CYP2C9KMT2ATRPM8
SCHEMBL19778 0.72 NPSR1 (0.70) NPSR1KMT2ATRPM8GAATSHR
SCHEMBL11840802 0.71 NPSR1 (0.42) NPSR1KMT2ATRPM8TSHRNPC1
Methylamine SCHEMBL10655180 0.71 NPSR1 (0.61) NPSR1KMT2ATRPM8GAATSHR
SCHEMBL9513936 0.70 NPSR1 (0.45) NPSR1CYP3A4CYP2C9KMT2ATRPM8
Bromide SCHEMBL31210017 0.70 NPSR1 (0.67) NPSR1KMT2ATRPM8GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56118005-A None JP disclosed
US-20050187265-A1 Novel benzyl amidoxime derivatives, intermediate products and method for their production and use as fungicides RHEINHEIMER JOACHIM (DE) 2005-08-25 US disclosed
US-20050090402-A1 Use of defined copolymers as adjuvants and agents in the agrotechnical domain BASKF AKTIENGESELLCHAFT (DE) 2005-04-28 US disclosed
US-6680283-B1 TREATMENT OF PLANTS, AND ALSO FOR THE THERAPEUTIC TREATMENT OF HUMAN DISORDERS CAUSED BY HARMFUL FUNGI, AND FOR THE VETERINARY TREATMENT OF MAMMALS BASF AKTIENGESELLSCHAFT (DE) 2004-01-20 US disclosed
US-6586369-B1 Agriculture BASF AKTIENGESELLSCHAFT (DE) 2003-07-01 US disclosed
US-6147104-A USED IN COMBATING PARASITIC FUNGUS BASF AKTIENGESELLSCHAFT (DE) 2000-11-14 US disclosed
JP-S56118005-A GERMICIDAL COMPOSITION FOR LAWN BIHOU SHOKAI:KK 1981-09-16 JP 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-20050090402-A1 Use of defined copolymers as adjuvants and agents in the agrotechnical domain SCD, ELOVL6, ELOVL3 NPSR1 4845/4885CYP2C19 3455/4885CYP3A4 1704/4885
US-20050187265-A1 Novel benzyl amidoxime derivatives, intermediate products and method for their production and use as fungicides CBR3, CBR1, CYP1B1 NPSR1 2050/4885CYP2C19 93/4885CYP3A4 32/4885

“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.