SCHEMBL20028096

SCHEMBL20028096

CCOC(=O)c1ncn(C)c1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.54
ALDH1A1 P00352 6/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
MAPT P10636 2/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
TSHR P16473 3/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
TARBP2 Q15633 1/20 0.48
EED O75530 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL22080349 0.84 CYP19A1 (0.53) CYP19A1ALDH1A1CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL22027566 0.83 ALDH1A1 (0.53) CYP19A1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL20028090 0.80 NSD3 (0.50) ALDH1A1CYP2C9CYP2C19MAPTCA1
SCHEMBL3491424 0.79 CYP19A1 (0.48) CYP19A1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL8236392 0.79 CYP19A1 (0.48) CYP19A1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL6274152 0.78 GABRA2 (0.59) CYP19A1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL3495474 0.77 CYP19A1 (0.46) CYP19A1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL20027816 0.77 CYP19A1 (0.68) CYP19A1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL20028095 0.77 SMN1; SMN2 (0.55) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL10057637 0.77 ALDH1A1 (0.55) CYP19A1ALDH1A1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 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-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 CYP19A1 4551/4885ALDH1A1 4193/4885CYP3A4 4746/4885

“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.