SCHEMBL16355659

SCHEMBL16355659

Cc1ccc2cc3cc(C#N)c(=N)oc3cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ GLA P06280 2/20 0.40
▸ CYP2A6 P11509 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ MIF P14174 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 6/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ GPR35 Q9HC97 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ CASP1 P29466 2/20 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
SCHEMBL15392286 0.82 MEN1 (0.40) MEN1KMT2AGLAMIFCA9
SCHEMBL13347773 0.77 CYP2A6 (0.59) MEN1KMT2ACYP2A6CYP1A2PKM
SCHEMBL14231882 0.72 MAOB (0.53) CYP2A6CYP1A2CA9ALDH1A1TDP1
SCHEMBL14232042 0.72 MAOB (0.53) CYP2A6CYP1A2CA9ALDH1A1TDP1
SCHEMBL14231884 0.72 MAOB (0.53) CYP2A6CYP1A2CA9ALDH1A1TDP1
SCHEMBL8404530 0.72 CYP2A6 (0.52) MEN1KMT2ACYP2A6CYP1A2PKM
SCHEMBL14525472 0.69 CYP2A6 (0.48) MEN1KMT2ACYP2A6CYP1A2PKM
SCHEMBL19635949 0.69 CYP2A6 (0.56) MEN1KMT2ACYP2A6MIFCA9
SCHEMBL9635601 0.69 MIF (0.67) MEN1KMT2AGLAMIFCA9
SCHEMBL17208943 0.67 PKM (0.47) MEN1KMT2AGLACYP2A6CYP1A2

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-9353399-B2 Two-photon absorbing compound with methods of synthesis and use POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2016-05-31 — — US disclosed
US-20140377791-A1 NOVEL TWO-PHOTON ABSORBING FLUORESCENT SUBSTANCE, AND SUBSTRATE SENSING METHOD USING SAME POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2014-12-25 — — 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-20140377791-A1 NOVEL TWO-PHOTON ABSORBING FLUORESCENT SUBSTANCE, AND SUBSTRATE SENSING METHOD USING SAME MAOA, MAOB, PDE1A MEN1 3397/4885KMT2A 2419/4885GLA 319/4885

“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.

Send feedback