SCHEMBL18812907

SCHEMBL18812907

CNC(C)(C)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.48
KCNN4 O15554 1/20 0.44
CYP2C9 P11712 1/20 0.42
ALDH1A1 P00352 2/20 0.41
PTPN5 P54829 1/20 0.39
ADAMTS4 O75173 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL663244 0.85 KCNN4 (0.59) KCNN4ALDH1A1LMNACYP2D6MAPK1
Bromide SCHEMBL5814168 0.83 KCNN4 (0.56) KCNN4ALDH1A1LMNACYP2D6MAPK1
Bromide SCHEMBL5814172 0.83 KCNN4 (0.56) KCNN4ALDH1A1LMNACYP2D6MAPK1
SCHEMBL11621274 0.78 KCNN4 (0.46) KIF11KCNN4ALDH1A1LMNACYP2D6
SCHEMBL1026821 0.77 KCNN4 (0.50) KCNN4ALDH1A1LMNACYP2D6MAPK1
SCHEMBL11781276 0.77 APP (0.48) KCNN4NPC1RAB9ACYP1A2
SCHEMBL11768479 0.77 LMNA (0.48) KCNN4LMNACYP2D6NPC1RAB9A
SCHEMBL26357793 0.77 LTA4H (0.48) KCNN4CYP2C9ALDH1A1LMNANPC1
SCHEMBL15832876 0.75 ALDH1A1 (0.58) KIF11CYP2C9ALDH1A1PTPN5AKT1
SCHEMBL128222 0.75 KIF11 (0.59) KIF11CYP2C9ALDH1A1PTPN5LMNA

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-9988421-B2 Dipeptides as inhibitors of human immunoproteasomes CORNELL UNIVERSITY (US) 2018-06-05 US disclosed
US-20170121366-A1 DIPEPTIDES AS INHIBITORS OF HUMAN IMMUNOPROTEASOMES CORNELL UNIVERSITY 2017-05-04 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-20170121366-A1 DIPEPTIDES AS INHIBITORS OF HUMAN IMMUNOPROTEASOMES DNPEP, PSMB10, DPEP1 KIF11 2881/4885KCNN4 4395/4885CYP2C9 4072/4885

“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.