SCHEMBL21361231

SCHEMBL21361231

Cc1cc(-c2ncc(F)cn2)cc(C)c1C1C(=O)CC2(CCN(C(=O)NC(=O)c3ccccn3)CC2)CC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GRM4 Q14833 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
CACNA1H O95180 3/20 0.34
KIT P10721 1/20 0.34
NAMPT P43490 1/20 0.33
KCNH2 Q12809 1/20 0.33
GRIN2B Q13224 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL21361250 0.91 MAOB (0.38) SMN1; SMN2NPC1RAB9AGRM4KIT
SCHEMBL21361247 0.89 L3MBTL1 (0.42) SMN1; SMN2ALDH1A1CYP3A4CYP2D6HPGD
SCHEMBL21343683 0.88 GAA (0.39) SMN1; SMN2NPC1RAB9AGRM4ALDH1A1
SCHEMBL24120382 0.87 GRM4 (0.38) SMN1; SMN2NPC1RAB9AGRM4KCNH2
SCHEMBL22859737 0.85 KCNH2 (0.38) GRM4KITKCNH2GRIN2B
SCHEMBL24120381 0.84 MAOB (0.39) SMN1; SMN2NPC1RAB9AGRM4LMNA
SCHEMBL22942059 0.83 RAB9A (0.35) SMN1; SMN2NPC1RAB9AGRM4ALDH1A1
SCHEMBL21361295 0.83 GPR6 (0.37) SMN1; SMN2NPC1RAB9AGRM4ALDH1A1
SCHEMBL21361239 0.83 ABL1 (0.33) ALDH1A1CYP3A4CYP2D6TSHRLMNA
SCHEMBL21361251 0.82 CYP3A4 (0.42) SMN1; SMN2ALDH1A1CYP3A4CYP2D6HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3765445-B1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2023-08-30 EP disclosed
US-20210000113-A1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2021-01-07 US disclosed
WO-2019175117-A1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2019-09-19 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-20210000113-A1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES CBR3, DDT, CBR1 TNKS2 4414/4885SMN1; SMN2 4607/4885NPC1 4103/4885

“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.