SCHEMBL1531071

SCHEMBL1531071

[CH2]c1cccc(C(=O)N(CC)CCC)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.57
ALDH1A1 P00352 3/20 0.57
TDP1 Q9NUW8 1/20 0.55
TSHR P16473 2/20 0.48
LMNA P02545 3/20 0.46
GAA P10253 1/20 0.46
BACE1 P56817 1/20 0.45
TP53 P04637 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSP90AA1 P07900 2/20 0.43
HSP90AB1 P08238 2/20 0.43
PPARG P37231 1/20 0.42
MLYCD O95822 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL5544999 0.94 TP53 (0.51) HPGDALDH1A1TDP1TSHRLMNA
SCHEMBL1531067 0.90 HPGD (0.67) HPGDALDH1A1TDP1TSHRLMNA
SCHEMBL11981556 0.83 HPGD (0.81) HPGDALDH1A1TDP1TSHRLMNA
SCHEMBL9361376 0.81 TP53 (0.60) HPGDALDH1A1TDP1TSHRLMNA
SCHEMBL5166929 0.80 HPGD (0.68) HPGDALDH1A1TDP1LMNAGAA
SCHEMBL1196990 0.79 HPGD (0.51) HPGDALDH1A1TDP1TSHRLMNA
SCHEMBL14234683 0.78 HPGD (0.53) HPGDALDH1A1TDP1TSHRLMNA
SCHEMBL10611083 0.78 HPGD (0.42) HPGDALDH1A1TDP1TSHRLMNA
SCHEMBL10614545 0.78 HPGD (0.42) HPGDALDH1A1TDP1TSHRLMNA
SCHEMBL7406512 0.77 HPGD (0.79) HPGDALDH1A1TDP1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362852-B1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEM RES (JP) 2011-04-06 EP disclosed
EP-2292606-A1 Pyrazole derivative, its intermediate, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2011-03-09 EP disclosed
US-7767827-B2 Pyrazole-1-carboxylate derivatives, process for the production thereof and process for the production of pyrazole derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-08-03 US disclosed
US-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-06-17 US disclosed
US-7700786-B2 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-04-20 US disclosed
US-20090018345-A1 PYRAZOLE-1-CARBOXYLATE DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND PROCESS FOR THE PRODUCTION OF PYRAZOLE DERIVATIVES KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-01-15 US disclosed
EP-1884512-A1 PYRAZOLE-1-CARBOXYLIC ESTER DERIVATIVE, METHOD FOR PRODUCING THE SAME AND METHOD FOR PRODUCING PYRAZOLE DERIVATIVE SAGAMI CHEMICAL RESEARCH CENTER (JP) 2008-02-06 EP disclosed
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient KAKEN PHARMACEUTICAL CO., LTD. (JP) 2005-03-31 US disclosed
EP-1362852-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2003-11-19 EP 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 (3 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-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT CYP51A1, CYP4F11, WEE1 HPGD 309/4885ALDH1A1 113/4885TDP1 1693/4885
US-20090018345-A1 PYRAZOLE-1-CARBOXYLATE DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND PROCESS FOR THE PRODUCTION OF PYRAZOLE DERIVATIVES WEE1, CYP51A1, CYP4B1 HPGD 526/4885ALDH1A1 57/4885TDP1 1691/4885
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient CYP51A1, CYP4F11, WEE1 HPGD 309/4885ALDH1A1 113/4885TDP1 1693/4885

“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.