SCHEMBL21030541

SCHEMBL21030541

c1ccc2c(c1)ccc1c3ncccc3sc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.44
LIMK1 P53667 3/20 0.44
CLK1 P49759 1/20 0.44
MAPT P10636 5/20 0.44
LMNA P02545 4/20 0.44
CCR1 P32246 4/20 0.44
CCR8 P51685 4/20 0.44
KDM4E B2RXH2 4/20 0.44
CCR5 P51681 2/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PMP22 Q01453 2/20 0.44
HSP90AA1 P07900 2/20 0.44
GMNN O75496 1/20 0.44
MMP2 P08253 1/20 0.44
CYP2D6 P10635 1/20 0.44
MMP9 P14780 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL31682282 0.84 MAPT (0.46) CYP3A4MAPTLMNACCR1CCR8
SCHEMBL28413365 0.84 MAPT (0.46) CYP3A4MAPTLMNACCR1CCR8
SCHEMBL25470211 0.81 NR4A2 (0.42) CYP3A4LIMK1CLK1MAPTLMNA
SCHEMBL25472343 0.81 LIMK1 (0.40) CYP3A4LIMK1CLK1MAPTLMNA
SCHEMBL25468567 0.81 CYP3A4 (0.35) CYP3A4LIMK1CLK1MAPTLMNA
SCHEMBL25461822 0.80 ALDH1A1 (0.42) CYP3A4LIMK1CLK1MAPTLMNA
SCHEMBL30171452 0.80 LMNA (0.48) CYP3A4LIMK1CLK1MAPTLMNA
SCHEMBL25468571 0.79 CYP1A1 (0.39) LIMK1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL25468401 0.79 LIMK1 (0.37) LIMK1CLK1MAPTLMNASMN1; SMN2
SCHEMBL20042620 0.78 CYP1A1 (0.40) CYP3A4LIMK1CLK1MAPTLMNA

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 CYP3A4 357/4885LIMK1 1827/4885CLK1 4397/4885
US-20190161497-A1 SPECIFICALLY SUBSTITUTED BENZOFURO- AND BENZOTHIENOQUINOLINES FOR ORGANIC LIGHT EMITTING DIODES KCNQ2, KCNQ1, KCNQ4 CYP3A4 357/4885LIMK1 1827/4885CLK1 4397/4885

“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.