SCHEMBL3115368

SCHEMBL3115368

Cc1ccc(C(Cl)=NO)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.45
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MTOR P42345 6/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN5 P54829 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
SCHEMBL20745675 1.00 HPGD (0.45) HPGDTSHRSMN1; SMN2RAB9ANPC1
SCHEMBL648200 0.85 CHRNA1 (0.41) HPGDTSHRRAB9ANPC1ALDH1A1
SCHEMBL648199 0.85 CHRNA1 (0.41) HPGDTSHRRAB9ANPC1ALDH1A1
SCHEMBL19231777 0.85 CHRNA1 (0.41) HPGDTSHRRAB9ANPC1ALDH1A1
SCHEMBL20745021 0.78 MAOB (0.33) TSHRSMN1; SMN2MEN1KMT2APOLB
SCHEMBL20745020 0.78 MAOB (0.33) TSHRSMN1; SMN2MEN1KMT2APOLB
SCHEMBL25100436 0.78 CYP2C19 (0.51) HPGDTSHRSMN1; SMN2RAB9ANPC1
SCHEMBL3115579 0.78 HPGD (0.42) HPGDTSHRRAB9ANPC1ALDH1A1
SCHEMBL5796393 0.77 IDO1 (0.41) RAB9ANPC1NPSR1
SCHEMBL4459800 0.77 IDO1 (0.41) RAB9ANPC1NPSR1

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
US-11589586-B2 Pesticidal and parasiticidal pyrazole-isoxazoline compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2023-02-28 US disclosed
EP-3668866-B1 PESTICIDAL AND PARASITICIDAL PYRAZOLE-ISOXAZOLINE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2023-01-18 EP disclosed
EP-3668866-A1 PESTICIDAL AND PARASITICIDAL PYRAZOLE-ISOXAZOLINE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2020-06-24 EP disclosed
US-20200178531-A1 PESTICIDAL AND PARASITICIDAL PYRAZOLE-ISOXAZOLINE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2020-06-11 US disclosed
WO-2019036407-A1 PESTICIDAL AND PARASITICIDAL PYRAZOLE-ISOXAZOLINE COMPOUNDS MERIAL, INC. (US) 2019-02-21 WO disclosed
US-8372867-B2 Insecticidal aryl isoxazoline derivatives BAYER CROPSCIENCE AG (DE) 2013-02-12 US disclosed
US-20100179194-A1 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES BAYER CORPSCIENCE AG (DE) 2010-07-15 US disclosed
EP-2181100-A2 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES Bayer CropScience AG (DE) 2010-05-05 EP disclosed
WO-2008122375-A2 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-10-16 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 (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-11589586-B2 Pesticidal and parasiticidal pyrazole-isoxazoline compounds PRDX1, PRDX5, P2RX7 HPGD 1900/4885TSHR 1228/4885SMN1; SMN2 4050/4885
US-20100179194-A1 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES CYP4X1, AADAC, CYP3A7 HPGD 3135/4885TSHR 953/4885SMN1; SMN2 3513/4885
US-20200178531-A1 PESTICIDAL AND PARASITICIDAL PYRAZOLE-ISOXAZOLINE COMPOUNDS PRDX1, PRDX5, P2RX7 HPGD 1900/4885TSHR 1228/4885SMN1; SMN2 4050/4885

“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.