SCHEMBL7804390

SCHEMBL7804390

CCc1c(NCCN(C)C)[c]ccc1C#N

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 3/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM5A P29375 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PIK3CA P42336 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
EGLN2 Q96KS0 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL7801512 0.81
SCHEMBL7803705 0.76 TLR9 (0.33) POLBHSD17B10CYP2C19PKM
SCHEMBL28232147 0.70 CYP2A6 (0.33) KDM4EALDH1A1HPGDHSD17B10KDM5A
SCHEMBL15063769 0.69 CYP2A6 (0.32)
SCHEMBL10832004 0.65 KDM4E (0.53) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL6634986 0.64 TAAR1 (0.40) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL28317278 0.62 NCF1 (0.40) KDM4EALDH1A1KMT2AHPGDGAA
SCHEMBL2033568 0.61 CYP2C19 (0.42) KDM4EALDH1A1POLBGAACYP2C19
SCHEMBL15717912 0.61 EGLN2 (0.52) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL9025129 0.61 NCF1 (0.42) KDM4EALDH1A1HPGDNPSR1PIK3CA

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-20010012899-A1 Oligomeric methine dyes CLARIANT FINANCE ( BVI) LIMITED 2001-08-09 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 (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-20010012899-A1 Oligomeric methine dyes INMT, DDT, DDC KDM4E 1276/4885ALDH1A1 604/4885MEN1 718/4885

“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.