SCHEMBL17816228

SCHEMBL17816228

Cc1cc(C(C)(C)C)ncc1C(=O)NC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
NNMT P40261 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37

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
SCHEMBL17816230 0.85 L3MBTL1 (0.40) LMNASMN1; SMN2NPC1RAB9ACNR1
SCHEMBL16454219 0.83 SYK (0.44) SYKPOLBAPEX1LMNASMN1; SMN2
SCHEMBL17816223 0.83 POLB (0.54) SYKPOLBAPEX1CNR1CNR2
SCHEMBL17816208 0.80 POLB (0.41) SYKPOLBAPEX1LMNAMAPT
SCHEMBL17808222 0.80 CNR2 (0.38) SYKPOLBAPEX1LMNASMN1; SMN2
SCHEMBL17816231 0.79 LMNA (0.38) LMNASMN1; SMN2NPC1RAB9ANNMT
SCHEMBL17816229 0.74 CTSL (0.41) GABRA5
SCHEMBL17816224 0.73 LMNA (0.48) POLBLMNASMN1; SMN2NPC1RAB9A
SCHEMBL12285765 0.73 POLB (0.49) SYKPOLBAPEX1LMNASMN1; SMN2
SCHEMBL4926140 0.73 SMN1; SMN2 (0.51) SYKPOLBAPEX1SMN1; SMN2NPC1

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
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
US-20160159781-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 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-20160159781-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 SYK 4547/4885POLB 1307/4885APEX1 589/4885

“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.