SCHEMBL27427331

SCHEMBL27427331

CC(C)c1ccc(Cc2cccnc2)s1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.50
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
ALOX5 P09917 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CYP2A6 P11509 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL27420731 0.80 ALOX5 (0.41) ALDH1A1L3MBTL1ALOX5HRH4HRH3
SCHEMBL27420724 0.80 ALOX5 (0.57) ALDH1A1LMNATDP1L3MBTL1ALOX5
SCHEMBL27050646 0.79 ALDH1A1 (0.66) TBXAS1ALDH1A1LMNACHRNB2CHRNA4
SCHEMBL27420593 0.78 MEN1 (0.40) LMNAALOX5
SCHEMBL27420586 0.77 CYP11B1 (0.51) ALOX5
SCHEMBL27427413 0.76 ALOX5 (0.36) ALOX5
SCHEMBL10685101 0.76 TBXAS1 (0.53) TBXAS1ALDH1A1LMNACHRNB2CHRNA4
SCHEMBL19679946 0.75 ALOX5 (0.39) ALOX5
SCHEMBL27428494 0.74 CPB2 (0.40) L3MBTL1ALOX5
SCHEMBL27420677 0.73 ALOX5 (0.42) ALDH1A1LMNATDP1ALOX5CYP2D6

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 TBXAS1 1230/4885ALDH1A1 3778/4885LMNA 4639/4885

“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.