SCHEMBL22800217

SCHEMBL22800217

CCCCOc1cccc(-c2nn(C)cc2C(=O)N[C@@H](CCC)C(=O)N(C)OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DCAF1 Q9Y4B6 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ AVPR1B P47901 2/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL22800216 0.82 DCAF1 (0.39) DCAF1TP53AVPR1BKMT2AMEN1
SCHEMBL22800132 0.77 CYP2D6 (0.38) CYP2D6CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL22799708 0.71 TP53 (0.36) TP53NR1H4KMT2AMEN1LMNA
SCHEMBL22800084 0.69 CAPN1 (0.41) KMT2AMAPT
SCHEMBL22800242 0.68 PDE4A (0.34) DHODHKMT2AHPGD
SCHEMBL20027513 0.66 KMT2A (0.54) DCAF1TP53KMT2ALMNA
SCHEMBL21854097 0.66 KMT2A (0.54) DCAF1TP53KMT2ALMNA
SCHEMBL21854119 0.66 CAPN1 (0.58) DCAF1ALDH1A1
SCHEMBL22800965 0.65 LMNA (0.52) DCAF1TP53DHODHKMT2AMEN1
SCHEMBL22800154 0.64 ALDH1A1 (0.46) TP53KMT2AMEN1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF Knobbe, Martens, Olson & Bear, LLP 2020-12-17 — — US 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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN2, CAPN1 DCAF1 2985/4885TP53 2115/4885AVPR1B 4454/4885

“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.

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