SCHEMBL17816987

SCHEMBL17816987

COC(=O)c1c(-c2ccccc2)cc2ncc(Br)n2c1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA5 P31644 1/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 2/20 0.41
RECQL P46063 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PLEC Q15149 1/20 0.41
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 1/20 0.40
PRKCZ Q05513 1/20 0.40
NEK1 Q96PY6 1/20 0.38
SGK1 O00141 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38

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
SCHEMBL17817050 0.76 MEN1 (0.45) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL17816991 0.75 KDM4E (0.44) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL17817127 0.74 MEN1 (0.43) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL8324549 0.67 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL17987532 0.66 ALDH1A1 (0.54) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL28462104 0.66 HTT (0.48) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL17987207 0.66 ALDH1A1 (0.54) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL13228930 0.66 HTT (0.62) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL24682465 0.66 HTT (0.54) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL20027667 0.66 LPAR1 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA5

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
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 EP disclosed
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 GABRA1 1630/4885GABRG2 1637/4885GABRB3 2101/4885

“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.