SCHEMBL4175500

SCHEMBL4175500

COC(=O)c1nn2ccccc2c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.48
PLAU P00749 3/20 0.48
F2 P00734 2/20 0.48
EGFR P00533 1/20 0.46
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MIF P14174 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.46
PDE5A O76074 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
PDE4A P27815 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
BLM P54132 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
SCHEMBL1662696 0.91 ALDH1A1 (0.48) ELANEPLAUF2EGFRALDH1A1
SCHEMBL2809874 0.84 ALDH1A1 (0.49) EGFRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL3694473 0.83 ALDH1A1 (0.46) ELANEPLAUF2EGFRALDH1A1
SCHEMBL15897069 0.79 MEN1 (0.48) EGFRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL30630756 0.79 ALDH1A1 (0.48) EGFRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL15897073 0.78 EGFR (0.47) ELANEPLAUF2EGFRALDH1A1
SCHEMBL3813985 0.77 KMT2A (0.40) ELANEPLAUF2EGFRALDH1A1
SCHEMBL3810513 0.77 ELANE (0.46) ELANEPLAUF2ALDH1A1CYP3A4
SCHEMBL951965 0.76 MEN1 (0.51) EGFRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL3694469 0.76 ALDH1A1 (0.47) ELANEPLAUF2EGFRALDH1A1

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-11420944-B2 Voltage-dependent t-type calcium channel blocker NIPPON CHEMIPHAR CO., LTD. (JP) 2022-08-23 US disclosed
US-20190077767-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL BLOCKER NIPPON CHEMIPHAR CO., LTD. (JP) 2019-03-14 US disclosed
EP-3404021-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL INHIBITOR Nippon Chemiphar Co., Ltd. (JP) 2018-11-21 EP disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 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 (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-11420944-B2 Voltage-dependent t-type calcium channel blocker CACNA1I, CACNA1G, CACNA1E ELANE 4843/4885PLAU 4714/4885F2 1690/4885
US-20190077767-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL BLOCKER CACNA1I, CACNA1G, CACNA1E ELANE 4748/4885PLAU 4744/4885F2 1733/4885

“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.