SCHEMBL20100091

SCHEMBL20100091

CCS(=O)(=O)c1c(-c2nc3cc(C)cnc3o2)nc2ccccn12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.34
HTR6 P50406 1/20 0.34
PKLR P30613 1/20 0.34
ALDH1A1 P00352 5/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 3/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGD P15428 1/20 0.33
GFER P55789 1/20 0.33
LMNA P02545 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
SCHEMBL18131777 0.87 HSD17B10 (0.35) PKMHTR6NPC1KDM4EHSD17B10
SCHEMBL20100092 0.80 ALDH1A1 (0.34) PKMPKLRALDH1A1NPC1RAB9A
SCHEMBL18795095 0.74 CYP1A2 (0.40) PKMALDH1A1NPC1RAB9ACYP1A2
SCHEMBL17342168 0.74 SGMS2 (0.35) PKMALDH1A1NPC1RAB9ACYP1A2
SCHEMBL15426365 0.74 ATR (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL20100093 0.70 KDM4E (0.36) HTR6ALDH1A1NPC1RAB9ACYP1A2
SCHEMBL16803705 0.70 SGMS2 (0.42) ALDH1A1SMN1; SMN2HPGD
SCHEMBL18136196 0.69 HSD17B10 (0.34) HTR6NPC1RAB9ACYP1A2CYP2C9
SCHEMBL15275090 0.69 SGMS2 (0.46) PKMALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL18131783 0.68 KDM4E (0.36) PKMALDH1A1MAPK1KDM4EGAA

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-20180116222-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-03 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-20180116222-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CYCS PKM 1990/4885HTR6 4840/4885PKLR 2471/4885

“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.