SCHEMBL2177580

SCHEMBL2177580

CSc1[c]ncc(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DYRK3 O43781 1/20 0.32
CCNT1 O60563 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CDK9 P50750 1/20 0.32
CDK5 Q00535 1/20 0.32
DYRK1A Q13627 1/20 0.32
CDK5R1 Q15078 1/20 0.32
DYRK2 Q92630 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
KDM4E B2RXH2 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
AGBL2 Q5U5Z8 1/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30

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
SCHEMBL2176668 0.80
SCHEMBL2180145 0.76 SMN1; SMN2 (0.31) SMN1; SMN2KDM4E
SCHEMBL1034476 0.75 AGBL2 (0.36) AGBL2
SCHEMBL2180102 0.75
SCHEMBL2120862 0.72 ALDH1A1 (0.32) SMN1; SMN2KDM4EAGBL2POLB
SCHEMBL2177714 0.72
SCHEMBL403256 0.72 ALDH1A1 (0.32) SMN1; SMN2KDM4EAGBL2POLB
SCHEMBL944873 0.71 ALDH1A1 (0.31)
SCHEMBL20554214 0.71 ALDH1A1 (0.31)
SCHEMBL394514 0.71 ALDH1A1 (0.38) RAB9ASMN1; SMN2KDM4ENPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166162-A1 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests BASF SE (DE) 2011-07-07 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 (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-20110166162-A1 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests GLRX3, CBR3, PRDX1 RAB9A 1388/4885SMN1; SMN2 2625/4885DYRK3 2788/4885

“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.