SCHEMBL989349

SCHEMBL989349

CC(C)Nc1cc(C#Cc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 7/20 0.47
HCAR3 P49019 2/20 0.47
HTR6 P50406 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
RECQL P46063 1/20 0.39
MAPK1 P28482 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CASP7 P55210 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
SCHEMBL989805 0.87 MAPT (0.41) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL989806 0.87 MAPT (0.41) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL990669 0.83 MAPT (0.53) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14279372 0.82 ALDH1A1 (0.42) MAPTALDH1A1HTR6SMN1; SMN2CRHBP
SCHEMBL19553760 0.81 MAPT (0.55) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3991679 0.77 KMT2A (0.54) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3712216 0.75 HCAR3 (0.54) MAPTALDH1A1HCAR3SMN1; SMN2HPGD
SCHEMBL103504 0.75 HCAR3 (0.55) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30274042 0.75 HCAR3 (0.55) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16756260 0.75 MAPT (0.59) MAPTALDH1A1HTR6SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863310-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20080227839-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-09-18 US disclosed
EP-1720862-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005080380-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-09-01 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-20080227839-A1 Kinase Inhibitors ABL1, MAP3K20, MAP3K19 MAPT 2603/4885CYP1A2 3740/4885CYP3A4 3973/4885

“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.