SCHEMBL12704690

SCHEMBL12704690

CC1=C(C)C(=O)N(Nc2cc(CN3CCNCC3)c3ccc(Br)cc3n2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.37
PDE10A Q9Y233 1/20 0.36
DDR1 Q08345 2/20 0.36
LMNA P02545 1/20 0.36
CACNA2D1 P54289 1/20 0.35
KMT2A Q03164 2/20 0.33
CHEK1 O14757 2/20 0.33
PTPN11 Q06124 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR6 P50406 2/20 0.33
POLB P06746 1/20 0.33
BAX Q07812 1/20 0.33

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
SCHEMBL1592371 0.86 KMT2A (0.44) LMNAKMT2APOLB
SCHEMBL3640809 0.85 POLB (0.41) LMNAKMT2APOLB
SCHEMBL21556286 0.82 DDR1 (0.40) DDR1HTR6
SCHEMBL8136737 0.82 POLB (0.39) LMNAKMT2APOLB
SCHEMBL1592443 0.81 POLB (0.48) HIF1ALMNAKMT2AHTR6POLB
SCHEMBL1592431 0.81 THRB (0.46) LMNAKMT2AHSD17B10HTR6POLB
SCHEMBL8134771 0.81 POLB (0.54) LMNAKMT2APOLB
SCHEMBL1592421 0.80 CA12 (0.41) POLB
SCHEMBL1592514 0.80 CHEK1 (0.38) PDE10ACACNA2D1KMT2ACHEK1
SCHEMBL20880380 0.80 MEN1 (0.46) LMNAKMT2AHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415357-B2 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2013-04-09 US disclosed
US-8415357-B2 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2013-04-09 US disclosed
US-20110092514-A1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO., LTD. (JP) 2011-04-21 US disclosed
US-20110092514-A1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO., LTD. (JP) 2011-04-21 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-20110092514-A1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CDKN1A, CDC25C, DDB1 HIF1A 750/4885PDE10A 4217/4885DDR1 823/4885

“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.