SCHEMBL10106268

SCHEMBL10106268

CSc1ccc(Br)c(C)c1/C=N/O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
HPGD P15428 4/20 0.33
ALOX15 P16050 2/20 0.33
HTT P42858 2/20 0.33
GFER P55789 1/20 0.33
LMNA P02545 1/20 0.32
AOC3 Q16853 1/20 0.32
HSD17B10 Q99714 2/20 0.31

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
SCHEMBL6665602 0.81 HTT (0.39) ALDH1A1HPGDALOX15HTTGFER
SCHEMBL6665599 0.81 HTT (0.39) ALDH1A1HPGDALOX15HTTGFER
SCHEMBL12653549 0.77
SCHEMBL10106272 0.77 ERN1 (0.36) ALDH1A1LMNA
SCHEMBL701221 0.71 HPGD (0.35) ALDH1A1HPGDALOX15HTTGFER
SCHEMBL7234146 0.71 HPGD (0.35) ALDH1A1HPGDALOX15HTTGFER
SCHEMBL701220 0.71 HPGD (0.35) ALDH1A1HPGDALOX15HTTGFER
SCHEMBL29603808 0.71
SCHEMBL701678 0.71
SCHEMBL30893560 0.70 HPGD (0.47) ALDH1A1HPGDALOX15HTTLMNA

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-8124810-B2 Preparation of isoxazolin-3-ylacylbenzenes BASF SE (DE) 2012-02-28 US disclosed
US-8124810-B2 Preparation of isoxazolin-3-ylacylbenzenes BASF SE (DE) 2012-02-28 US disclosed
US-8049017-B2 Preparation of isoxazolin-3-ylacylbenzenes BASF SE (DE) 2011-11-01 US disclosed
US-8049017-B2 Preparation of isoxazolin-3-ylacylbenzenes BASF SE (DE) 2011-11-01 US disclosed
US-20110152535-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES RHEINHEIMER JOACHIM 2011-06-23 US disclosed
US-20110152535-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES RHEINHEIMER JOACHIM 2011-06-23 US disclosed
US-20100105920-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES BASF SE (DE) 2010-04-29 US disclosed
US-20100105920-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES BASF SE (DE) 2010-04-29 US disclosed
US-7663001-B2 Preparation of isoxazolin-3-ylacylbenzene BASF AKTIENGESELLSCHAFT (DE) 2010-02-16 US disclosed
US-7663001-B2 Preparation of isoxazolin-3-ylacylbenzene BASF AKTIENGESELLSCHAFT (DE) 2010-02-16 US disclosed
US-7309802-B2 Preparation of isoxazolin-3-ylacylbenzene BASF AKTIENGESELLSCHAFT (DE) 2007-12-18 US disclosed
US-7309802-B2 Preparation of isoxazolin-3-ylacylbenzene BASF AKTIENGESELLSCHAFT (DE) 2007-12-18 US disclosed
US-20070161800-A1 Preparation of Isoxazolin-3-Ylacylbenzene BASF SE (DE) 2007-07-12 US disclosed
US-20070161800-A1 Preparation of Isoxazolin-3-Ylacylbenzene BASF SE (DE) 2007-07-12 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 (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-20070161800-A1 Preparation of Isoxazolin-3-Ylacylbenzene CBR3, UQCRB, CYP4X1 ALDH1A1 483/4885HPGD 1339/4885ALOX15 2105/4885
US-20110152535-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES CBR3, CYP4X1, UQCRB ALDH1A1 549/4885HPGD 1423/4885ALOX15 2139/4885
US-20100105920-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES CBR3, CYP4X1, UQCRB ALDH1A1 549/4885HPGD 1423/4885ALOX15 2139/4885

“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.