SCHEMBL21076136

SCHEMBL21076136

Cc1ccc2c3ccccc3n(S)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.41
▸ KIF11 P52732 2/20 0.41
▸ MAPT P10636 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ BCHE P06276 2/20 0.37
▸ ACHE P22303 2/20 0.37
▸ ALKBH5 Q6P6C2 1/20 0.36
▸ FTO Q9C0B1 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ NQO2 P16083 1/20 0.35
▸ P2RX4 Q99571 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ EGFR P00533 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
SCHEMBL18587181 0.80 GPR3 (0.52) GPR3MAPTALKBH5FTOCYP1A2
SCHEMBL27425249 0.79 GPR3 (0.44) GPR3KIF11MAPTLMNAHTT
SCHEMBL12083734 0.78 GPR3 (0.67) GPR3KIF11MAPTLMNAHTT
SCHEMBL12960977 0.76 GPR3 (0.41) GPR3KIF11MAPTLMNAHTT
SCHEMBL20402776 0.76 GPR3 (0.41) GPR3KIF11MAPTLMNAHTT
SCHEMBL23491109 0.76 LMNA (0.44) GPR3KIF11MAPTLMNAHTT
SCHEMBL19446645 0.76 GPR3 (0.41) GPR3KIF11MAPTLMNAHTT
SCHEMBL12231624 0.75 RORA (0.35) KIF11LMNABCHEACHENR1I2
SCHEMBL4401736 0.74 KDM4E (0.57) GPR3KIF11MAPTLMNAHTT
SCHEMBL14114970 0.74 CYP1A2 (0.65) KIF11MAPTLMNAHTTCYP1A2

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-20190173014-A1 BENZODIAZABOROLE DERIVATIVES AND ORGANIC LIGHT-EMITTING DIODES USING THE SAME YUAN ZE UNIVERSITY (TW) 2019-06-06 — — 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-20190173014-A1 BENZODIAZABOROLE DERIVATIVES AND ORGANIC LIGHT-EMITTING DIODES USING THE SAME CBR3, GLB1, MRPL19 GPR3 342/4885KIF11 1971/4885MAPT 4236/4885

“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