SCHEMBL4549461

SCHEMBL4549461

O=Cc1ccc(-c2nn(-c3ccccc3)c(=O)[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
CYP2A6 P11509 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 1/20 0.37
BTK Q06187 1/20 0.37
HSP90AA1 P07900 1/20 0.36
ATM Q13315 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ADORA3 P0DMS8 2/20 0.35
ADORA1 P30542 1/20 0.34
PTGS2 P35354 1/20 0.34
CNOT7 Q9UIV1 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK1 P28482 1/20 0.34
ABL1 P00519 1/20 0.34
LCK P06239 1/20 0.34

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
SCHEMBL7650664 0.86 ADORA3 (0.44) ALDH1A1MEN1KMT2AHPGDTSHR
SCHEMBL7652506 0.82 TNKS (0.50) ALDH1A1HPGDATMKDM4EADORA3
SCHEMBL20078779 0.82 TNKS (0.50) ALDH1A1MEN1KMT2AHPGDTSHR
SCHEMBL7660378 0.82 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHPGDTSHR
SCHEMBL7656228 0.80 ALDH1A1 (0.49) ALDH1A1KMT2AHPGDKDM4CKDM4E
SCHEMBL1229541 0.80 ALDH1A1 (0.41) ALDH1A1KDM4EGAA
SCHEMBL7659631 0.78 ATM (0.62) ALDH1A1MEN1KMT2AHPGDATM
SCHEMBL7654423 0.76 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AHPGDTSHR
SCHEMBL7652937 0.76 TNKS (0.47) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL7649039 0.75 PPP1CA (0.51) ALDH1A1HPGDTSHRKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed
EP-2247603-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-09-28 EP disclosed
US-9179681-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-11-10 US disclosed
US-9018363-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-28 US disclosed
US-9006468-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-04-14 US disclosed
US-20150080326-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-03-19 US disclosed
US-20140148340-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-05-29 US disclosed
US-8680269-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-03-25 US disclosed
US-20120172217-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-05 US disclosed
US-20120172218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-05 US disclosed
US-20120122805-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-05-17 US disclosed
US-8178658-B2 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES, LLC (US) 2012-05-15 US disclosed
US-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES LLC (US) 2009-08-20 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 (6 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-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DDT, ACHE, NANP ALDH1A1 2110/4885CYP2A6 104/4885MEN1 4826/4885
US-20120172218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS ALDH1A1 2560/4885CYP2A6 1151/4885MEN1 3349/4885
US-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS ALDH1A1 2560/4885CYP2A6 1151/4885MEN1 3349/4885
US-20140148340-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PLCG2 ALDH1A1 2480/4885CYP2A6 1896/4885MEN1 2571/4885
US-20120172217-A1 PESTICIDAL COMPOSITIONS DDT, AADAC, ACHE ALDH1A1 1359/4885CYP2A6 425/4885MEN1 3951/4885
US-20120122805-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS ALDH1A1 2560/4885CYP2A6 1151/4885MEN1 3349/4885

“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.