SCHEMBL27420733

SCHEMBL27420733

CC(C)c1ccc(Cc2ccccn2)s1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
HRH1 P35367 1/20 0.37
POLB P06746 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
ALOX5 P09917 1/20 0.36

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
SCHEMBL13713498 0.83 CHRM2 (0.46) L3MBTL1ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL27420583 0.78 KEAP1 (0.36) HRH1
SCHEMBL16598083 0.78 HRH3 (0.44) L3MBTL1HRH3ALDH1A1LMNATAAR1
SCHEMBL19679946 0.76 ALOX5 (0.39) ALOX5
SCHEMBL27420579 0.76 MBOAT4 (0.37) SMN1; SMN2POLBALOX5
SCHEMBL27420598 0.76 KEAP1 (0.34) ALOX5
SCHEMBL27427332 0.75 ALOX5 (0.32) L3MBTL1ALOX5
SCHEMBL4159852 0.75 MAOA (0.49) L3MBTL1HRH3ALDH1A1LMNATAAR1
SCHEMBL27420724 0.74 ALOX5 (0.57) L3MBTL1ALDH1A1LMNATAAR1SMN1; SMN2
SCHEMBL27420731 0.71 ALOX5 (0.41) L3MBTL1HRH3ALDH1A1ALOX15CYP1A2

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-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. 2024-07-04 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-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF NR3C1, NR3C2, MC2R L3MBTL1 4185/4885HRH3 604/4885ALDH1A1 3778/4885

“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.