SCHEMBL16472128

SCHEMBL16472128

CC(C)(C)c1ccc(NN)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DEGS1 O15121 1/20 0.42
▸ MAPT P10636 5/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ GAA P10253 5/20 0.41
▸ LMNA P02545 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ RAB9A P51151 4/20 0.39
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ DGAT1 O75907 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ PTGS1 P23219 1/20 0.35

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
SCHEMBL11165798 0.85 EPHB4 (0.49) DEGS1MAPTKDM4EGAALMNA
SCHEMBL247457 0.84 GAA (0.39) DEGS1MAPTKDM4EGAALMNA
SCHEMBL12019745 0.81 HCAR3 (0.46) DEGS1MAPTKDM4EGAALMNA
SCHEMBL29525907 0.79 PTGS1 (0.53) DEGS1MAPTGAALMNAMEN1
SCHEMBL587272 0.79 PTGS1 (0.53) DEGS1MAPTGAALMNAMEN1
Hydrochloric Acid SCHEMBL30062287 0.78 PTGS1 (0.51) DEGS1MAPTGAALMNAMEN1
Hydrochloric Acid SCHEMBL15167588 0.78 PTGS1 (0.51) DEGS1MAPTGAALMNAMEN1
SCHEMBL25096472 0.76 DEGS1 (0.41) DEGS1MAPTKDM4EGAALMNA
SCHEMBL18932624 0.76 DEGS1 (0.44) DEGS1MAPTGAALMNAMEN1
SCHEMBL12293177 0.76 HCAR3 (0.50) DEGS1MAPTGAALMNAMEN1

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-20160215006-A1 PEPTIDOMIMETIC INHIBITORS OF PSMA WASHINGTON STATE UNIVERSITY (US) 2016-07-28 — — US disclosed
US-9328129-B2 Peptidomimetic inhibitors of PSMA WASHINGTON STATE UNIVERSITY (US) 2016-05-03 — — US disclosed
US-20140010758-A1 PEPTIDOMIMETIC INHIBITORS OF PSMA THE REGEANTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-01-09 — — 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 (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-20160215006-A1 PEPTIDOMIMETIC INHIBITORS OF PSMA PSMA1, PSMA3, PSMA2 DEGS1 3274/4885MAPT 788/4885KDM4E 3239/4885
US-20140010758-A1 PEPTIDOMIMETIC INHIBITORS OF PSMA PSMA1, PSMA3, PSMA2 DEGS1 3274/4885MAPT 788/4885KDM4E 3239/4885

“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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