SCHEMBL6692404

SCHEMBL6692404

CCCC(=O)c1ccccc1NC(C)=O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.65
CYP2C19 P33261 3/20 0.57
POLB P06746 1/20 0.57
CYP1A2 P05177 1/20 0.56
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
HPGD P15428 1/20 0.50
MAPT P10636 1/20 0.49
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
BRD4 O60885 1/20 0.46

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
SCHEMBL3118542 0.86 CYP2C19 (0.57) MAPK1CYP2C19POLBCYP1A2NPC1
SCHEMBL6421670 0.86 CYP2C19 (0.61) MAPK1CYP2C19POLBCYP1A2NPC1
SCHEMBL30040195 0.86 CYP2C19 (0.61) MAPK1CYP2C19POLBCYP1A2NPC1
SCHEMBL11063278 0.85 CYP2C19 (0.60) MAPK1CYP2C19POLBCYP1A2NPC1
SCHEMBL17359620 0.82 ELANE (0.47) MAPK1SMN1; SMN2ALDH1A1TSHRHPGD
SCHEMBL15696574 0.82 CYP2C19 (0.53) MAPK1CYP2C19POLBCYP1A2NPC1
SCHEMBL31520104 0.82 MAPT (0.55) MAPK1CYP2C19POLBCYP1A2ALDH1A1
SCHEMBL8752477 0.81 CYP2C19 (0.59) MAPK1CYP2C19POLBCYP1A2NPC1
SCHEMBL980175 0.81 CYP2C19 (0.59) MAPK1CYP2C19POLBCYP1A2NPC1
SCHEMBL8752502 0.79 KDM4E (0.60) MAPK1CYP2C19POLBCYP1A2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137314-A1 HARMFUL ORGANISM CONTROL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US disclosed
US-20100099692-A1 HARMFUL ORGANISM CONTROL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-22 US disclosed
WO-2004087637-A1 PRODUCTION OF N-ALKYLAMIDE COMPOUNDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-10-14 WO disclosed
CN-1014060-B METHOD FOR PREPARAING ORTHO-AZONAPHTHALENE COMPOUND IMP CHEMICAL IND PAN AMERICAL (US) 1991-09-25 CN disclosed
EP-0205272-B1 CINNOLINE DERIVATIVES ICI AMERICAS INC. (US) 1991-08-14 EP disclosed
US-4886800-A Substituted cinnoline derivatives as CNS depressants ICI AMERICAS INC. (US) 1989-12-12 US disclosed
CN-86104358-A The preparation method of cinnoline compound 1987-04-01 CN disclosed
EP-0205272-A2 Cinnoline derivatives ICI AMERICAS INC. (US) 1986-12-17 EP 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 (2 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-20100099692-A1 HARMFUL ORGANISM CONTROL COMPOSITION UQCRC1, UQCRC2, Q6ZSR9 MAPK1 3128/4885CYP2C19 448/4885POLB 364/4885
US-20100137314-A1 HARMFUL ORGANISM CONTROL COMPOSITION UQCRC2, UQCRC1, UQCRB MAPK1 3062/4885CYP2C19 302/4885POLB 190/4885

“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.