SCHEMBL19975799

SCHEMBL19975799

Cc1nsc(C(=O)OCc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
TDP1 Q9NUW8 4/20 0.50
TSHR P16473 4/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
ALDH1A1 P00352 6/20 0.47
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 3/20 0.43
CYP3A4 P08684 1/20 0.43
STAT1 P42224 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL21348642 0.81 TDP1 (0.53) RAB9ATDP1TSHRKMT2ASMN1; SMN2
SCHEMBL29117144 0.77 CSNK1D (0.47) RAB9ATSHRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL22005509 0.77 MAPK1 (0.54) RAB9ATDP1TSHRKMT2ASMN1; SMN2
SCHEMBL20154216 0.77 RAB9A (0.56) RAB9ATDP1TSHRKMT2ASMN1; SMN2
SCHEMBL20154170 0.77 RAB9A (0.50) RAB9ATDP1TSHRKMT2ASMN1; SMN2
SCHEMBL19463514 0.75 TDP1 (0.56) RAB9ATDP1TSHRKMT2ASMN1; SMN2
SCHEMBL19928471 0.75 TDP1 (0.56) RAB9ATDP1TSHRKMT2ASMN1; SMN2
SCHEMBL20060554 0.75 TDP1 (0.52) RAB9ATDP1TSHRKMT2ASMN1; SMN2
SCHEMBL18612368 0.75 TDP1 (0.51) RAB9ATDP1TSHRKMT2ASMN1; SMN2
SCHEMBL23596004 0.74 RAB9A (0.51) RAB9ATDP1TSHRKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230355590-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL CORPORATION (JP) 2023-11-09 US disclosed
US-20230355590-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL CORPORATION (JP) 2023-11-09 US disclosed
EP-3538512-B1 NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2021-06-16 EP disclosed
WO-2021018839-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PARASITIC INFECTIONS BAYER ANIMAL HEALTH GMBH (DE) 2021-02-04 WO disclosed
US-10874645-B2 Isoxazoline-substituted benzamide compound and pesticide NISSAN CHEMICAL CORPORATION (JP) 2020-12-29 US disclosed
US-20200155511-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL CORPORATION (JP) 2020-05-21 US disclosed
US-10189854-B2 Substituted pyrimidine compounds GRUENENTHAL GMBH (DE) 2019-01-29 US disclosed
WO-2019002132-A1 NEW AZAQUINOLINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2019-01-03 WO disclosed
WO-2018087036-A1 NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2018-05-17 WO disclosed
US-9920046-B2 Oxime-substituted amide compound and pest control agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-03-20 US disclosed
US-9920046-B2 Oxime-substituted amide compound and pest control agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-03-20 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 (4 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-20230355590-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE HDAC7, ACHE, BRDT RAB9A 1269/4885TDP1 3193/4885TSHR 1506/4885
US-10189854-B2 Substituted pyrimidine compounds TYMP, PDE4A, DPYD RAB9A 3633/4885TDP1 62/4885TSHR 4281/4885
US-10874645-B2 Isoxazoline-substituted benzamide compound and pesticide C3AR1, C5, C9 RAB9A 2710/4885TDP1 4037/4885TSHR 251/4885
US-20200155511-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE C3AR1, C5, C9 RAB9A 2710/4885TDP1 4037/4885TSHR 251/4885

“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.