SCHEMBL6702355

SCHEMBL6702355

CC(C)C(N)Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.58
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 3/20 0.50
TSHR P16473 3/20 0.50
HSD17B10 Q99714 3/20 0.50
ALOX15 P16050 2/20 0.50
ALOX12 P18054 2/20 0.50
LMNA P02545 2/20 0.50
THRB P10828 1/20 0.50
RECQL P46063 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
IDO1 P14902 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL1061133 0.80 TDP1 (0.64) TDP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL6701040 0.77 CA12 (0.42) TDP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL23676916 0.76 TDP1 (0.58) TDP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL20449071 0.76 TDP1 (0.58) TDP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL8433641 0.76 TDP1 (0.46) TDP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL22502960 0.75 TDP1 (0.64) TDP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL2255556 0.75 TDP1 (0.64) TDP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL16603000 0.74 DPP4 (0.56) TDP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL6702637 0.74 SLC6A4 (0.46) ALDH1A1LMNARECQLCYP1A2CYP2C9
SCHEMBL14527693 0.74 TDP1 (0.55) TDP1ALDH1A1CYP3A4TSHRHSD17B10

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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 EP 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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 TDP1 4007/4885ALDH1A1 925/4885CYP3A4 972/4885

“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.