SCHEMBL17815775

SCHEMBL17815775

CCc1cccc(-n2nnn(C)c2=O)c1COc1ccc(-c2ccc(OC)cc2)c(C)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
BRD7 Q9NPI1 1/20 0.33
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 4/20 0.33
TSHR P16473 2/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 3/20 0.32
RAB9A P51151 2/20 0.32
TP53 P04637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GYS1 P13807 3/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
ADORA1 P30542 1/20 0.32
P2RX3 P56373 1/20 0.31
MAPK1 P28482 1/20 0.31
CFTR P13569 1/20 0.31
F10 P00742 1/20 0.31
ADORA2A P29274 1/20 0.31

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
SCHEMBL17811650 0.92 ADORA3 (0.31) ADORA3BRD9BRD7
SCHEMBL17804244 0.91 BRD9 (0.36) ADORA3BRD9BRD7ALDH1A1KDM4E
SCHEMBL17796909 0.91 CD274 (0.35) PKMLMNAPDE10AMAPT
SCHEMBL17615159 0.86 ALDH1A1 (0.35) ADORA3ALDH1A1KDM4ETSHRPKM
SCHEMBL17804258 0.86 HTR1A (0.34) BRD9BRD7ALDH1A1KDM4ETSHR
SCHEMBL17811649 0.86 KCNN4 (0.34) KDM4ETSHRTP53HSD17B10MAPT
SCHEMBL20195449 0.85 ALDH1A1 (0.36) ADORA3BRD9BRD7ALDH1A1KDM4E
SCHEMBL17804259 0.82 BRD9 (0.33) ADORA3BRD9BRD7PKM
SCHEMBL17804238 0.82 BRD9 (0.37) BRD9BRD7MAPT
SCHEMBL16437311 0.82 PKM (0.31) PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9521848-B2 Tetrazolinone compound and use therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-20 US disclosed
US-20160157489-A1 TETRAZOLINONE COMPOUND AND USE THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 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-20160157489-A1 TETRAZOLINONE COMPOUND AND USE THEREFOR CYP51A1, CYP4F11, CYP1B1 ADORA3 2848/4885BRD9 3457/4885BRD7 1768/4885

“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.