SCHEMBL3515951

SCHEMBL3515951

Nc1ccc2c(c1)c(NC(=O)c1ccccc1)nn2C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.46
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADORA3 P0DMS8 7/20 0.46
ADORA1 P30542 2/20 0.46
CDC7 O00311 1/20 0.44
HDAC2 Q92769 3/20 0.42
MAPK1 P28482 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PRMT1 Q99873 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL3517026 0.84 MAP2K4 (0.46) ELANEMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL3519191 0.81 ELANE (0.56) ELANEMAPTADORA3HDAC2LMNA
SCHEMBL1456701 0.74 CDK5 (0.42) ELANEMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL2571241 0.73 CHEK1 (0.48) ELANEMAPTCYP2C19LMNAKDM4E
SCHEMBL3518728 0.72 CHEK1 (0.39) ELANEMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL2144400 0.72 ELANE (0.43) ELANEMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL761113 0.71 JAK2 (0.62) CDC7MAPK1JAK2JAK1
SCHEMBL2931193 0.70 ADORA3 (0.43) ELANEADORA3ADORA1CDC7HDAC2
SCHEMBL16165667 0.69 CHEK1 (0.39) ELANEMAPTADORA3MAPK1LMNA
SCHEMBL29712862 0.68 HDAC2 (0.71) MAPTCYP1A2CYP2C9CYP2C19HDAC2

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-20100298377-A1 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-11-25 US disclosed
EP-2170865-A2 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF, AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2010-04-07 EP disclosed
WO-2009010660-A2 SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF, AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2009-01-22 WO 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-20100298377-A1 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF AND USE OF SAME IN THERAPEUTICS WEE1, PRMT1, ABL1 ELANE 914/4885MAPT 2039/4885CYP1A2 40/4885

“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.