SCHEMBL1949036

SCHEMBL1949036

CCC1(C)CN=C(c2cnc3c(F)cccc3c2)c2cccc(Cl)c2O1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
GRIN2B Q13224 4/20 0.33
PTPN11 Q06124 3/20 0.32
KCNH2 Q12809 2/20 0.30
STIM1 Q13586 1/20 0.30
ORAI1 Q96D31 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
SCHEMBL1951238 0.92 ABCB1 (0.38) ABCB1ABCG2GRIN2BSTIM1ORAI1
SCHEMBL1948784 0.88 ABCB1 (0.36) ABCB1ABCG2GRIN2BPTPN11KCNH2
SCHEMBL1949027 0.85 ABCB1 (0.37) ABCB1ABCG2GRIN2BKCNH2
SCHEMBL1951241 0.80 ABCB1 (0.38) ABCB1ABCG2STIM1ORAI1
SCHEMBL1949031 0.80 CNR2 (0.31) PTPN11KCNH2
SCHEMBL1666775 0.80 GRIN2B (0.32) GRIN2BPTPN11
Hydrochloric Acid SCHEMBL1666759 0.79 ABCB1 (0.37) ABCB1ABCG2
SCHEMBL1949002 0.77 PIK3CD (0.34) ABCG2GRIN2B
SCHEMBL1666344 0.77 ABCB1 (0.36) ABCB1ABCG2GRIN2BSTIM1ORAI1
SCHEMBL1666323 0.75 ABCB1 (0.37) ABCB1ABCG2GRIN2BKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11553716-B2 Agricultural and horticultural fungicide composition NIPPON SODA CO., LTD. (JP) 2023-01-17 US disclosed
CN-111741681-B Agricultural and horticultural bactericide composition 日本曹达株式会社 2022-07-19 CN disclosed
EP-3760044-A1 AGRICULTURAL AND HORTICULTURAL GERMICIDE COMPOSITION Nippon Soda Co., Ltd. (JP) 2021-01-06 EP disclosed
US-20200352168-A1 AGRICULTURAL AND HORTICULTURAL FUNGICIDE COMPOSITION NIPPON SODA CO., LTD. (JP) 2020-11-12 US disclosed
EP-2314583-B1 NITROGENATED HETEROCYCLIC DERIVATIVE, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDAL AGENT NIPPON SODA CO (JP) 2015-02-25 EP disclosed
US-8557738-B2 Nitrogen-containing heterocyclic derivative and fungicide for agricultural and horticultural use NIPPON SODA CO., LTD. (JP) 2013-10-15 US disclosed
US-20110136782-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE NIPPON SODA CO., LTD (JP) 2011-06-09 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 (3 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-20200352168-A1 AGRICULTURAL AND HORTICULTURAL FUNGICIDE COMPOSITION CYP1B1, SULT1E1, SULT1A1 ABCB1 93/4885ABCG2 1399/4885GRIN2B 2843/4885
US-11553716-B2 Agricultural and horticultural fungicide composition CYP1B1, SULT1E1, SULT1A1 ABCB1 93/4885ABCG2 1399/4885GRIN2B 2843/4885
US-20110136782-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE CBR3, NOS1, CBR1 ABCB1 1449/4885ABCG2 1123/4885GRIN2B 1810/4885

“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.