SCHEMBL16680712

SCHEMBL16680712

CCOC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1CC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HSP90AA1 P07900 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
CASP3 P42574 1/20 0.32
ATM Q13315 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
SMN1; SMN2 Q16637 5/20 0.32
HTT P42858 2/20 0.32
ATF1 P18846 1/20 0.31
NFKB1 P19838 1/20 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
SCHEMBL16681006 0.90 HSD17B10 (0.36) HSD17B10MRGPRX4MAPTKDM4EMEN1
SCHEMBL16680830 0.89 HSD17B10 (0.35) HSD17B10MRGPRX4MAPTKDM4EMEN1
SCHEMBL16680775 0.88 ACLY (0.35) MAPTFFAR4
SCHEMBL736544 0.84 HSD17B10 (0.37) HSD17B10MAPTKDM4EKMT2ANPC1
SCHEMBL736510 0.82 HSD17B10 (0.36) HSD17B10MAPTKDM4EMEN1KMT2A
SCHEMBL23784660 0.82 PDK2 (0.36) HSD17B10MRGPRX4MAPTKDM4ENPC1
SCHEMBL740573 0.81 NPC1 (0.40) HSD17B10KDM4EMEN1KMT2ANPC1
SCHEMBL16688172 0.81 KDM4E (0.39) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL16688217 0.81 KDM4E (0.35) HSD17B10MAPTKDM4EKMT2ANPC1
SCHEMBL16681510 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3063144-B1 ANTIPARASITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-09-08 EP disclosed
EP-3063144-B1 ANTIPARASITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-09-08 EP disclosed
EP-3733664-A1 ANTIPARISITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2020-11-04 EP disclosed
US-9447084-B2 Antiparisitic and pesticidal isoxazoline compounds MERIAL, INC. (US) 2016-09-20 US disclosed
US-9447084-B2 Antiparisitic and pesticidal isoxazoline compounds MERIAL, INC. (US) 2016-09-20 US disclosed
EP-3063144-A1 ANTIPARISITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS Merial, Inc. (US) 2016-09-07 EP disclosed
US-20150126523-A1 ANTIPARISITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS MERIAL LIMITED (US) 2015-05-07 US disclosed
US-20150126523-A1 ANTIPARISITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS MERIAL LIMITED (US) 2015-05-07 US disclosed
WO-2015066277-A1 ANTIPARISITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS MERIAL LIMITED (US) 2015-05-07 WO disclosed
WO-2015066277-A1 ANTIPARISITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS MERIAL LIMITED (US) 2015-05-07 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-20150126523-A1 ANTIPARISITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS ACHE, PRDX1, CHRM1 HSD17B10 3016/4885MRGPRX4 552/4885MAPT 4509/4885

“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.