SCHEMBL21032058

SCHEMBL21032058

c1cnc2c(c1)ccc1ccc(-c3ccc(-c4c5ccccc5nc5sc6ccccc6c45)cc3)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 5/20 0.37
LMNA P02545 4/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
TP53 P04637 2/20 0.35
HSP90AA1 P07900 2/20 0.35
ALOX15 P16050 2/20 0.35
HTT P42858 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
GMNN O75496 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
MMP8 P22894 1/20 0.35
CCR1 P32246 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL21031299 0.91 LMNA (0.38) TOP1LMNAKDM4EMAPTCYP3A4
SCHEMBL21031294 0.91 KDM4E (0.37) LMNAKDM4EMAPTCYP3A4TP53
SCHEMBL21031295 0.91 TOP1 (0.38) TOP1LMNAKDM4EMAPTCYP3A4
SCHEMBL21032070 0.85 PARP1 (0.35) LMNAKDM4EMAPTCYP3A4CYP2D6
SCHEMBL21032091 0.83 KRAS (0.38) TOP1LMNAKDM4EMAPTCYP3A4
SCHEMBL21031300 0.83 PARP1 (0.34) LMNAKDM4EMAPTCYP3A4TP53
SCHEMBL18804066 0.83 TOP1 (0.40) TOP1LMNAKDM4EMAPTCYP3A4
SCHEMBL18804103 0.80 TOP1 (0.37) TOP1LMNAKDM4EMAPTCYP3A4
SCHEMBL18085306 0.80 TOP1 (0.37) TOP1LMNAKDM4EMAPTCYP3A4
SCHEMBL12425565 0.80 LMNA (0.35) TOP1LMNAKDM4EMAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691983-B2 Specifically substituted benzofuro- and benzothienoquinolines for organic light emitting diodes IDEMITSU KOSAN CO., LTD. (JP) 2023-07-04 US disclosed
US-11691983-B2 Specifically substituted benzofuro- and benzothienoquinolines for organic light emitting diodes IDEMITSU KOSAN CO., LTD. (JP) 2023-07-04 US disclosed
US-20190161497-A1 SPECIFICALLY SUBSTITUTED BENZOFURO- AND BENZOTHIENOQUINOLINES FOR ORGANIC LIGHT EMITTING DIODES IDEMITSU KOSAN CO., LTD. (JP) 2019-05-30 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 (2 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-11691983-B2 Specifically substituted benzofuro- and benzothienoquinolines for organic light emitting diodes KCNQ2, KCNQ1, KCNQ4 TOP1 3497/4885LMNA 2539/4885KDM4E 962/4885
US-20190161497-A1 SPECIFICALLY SUBSTITUTED BENZOFURO- AND BENZOTHIENOQUINOLINES FOR ORGANIC LIGHT EMITTING DIODES KCNQ2, KCNQ1, KCNQ4 TOP1 3497/4885LMNA 2539/4885KDM4E 962/4885

“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.