SCHEMBL18157744

SCHEMBL18157744

COC(=O)n1c(C)c(Br)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45
POLB P06746 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL18160192 0.85 POLB (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29374715 0.83 CHRM2 (0.48) POLBMEN1KMT2AL3MBTL1MAPT
SCHEMBL716282 0.83 CHRM2 (0.48) POLBMEN1KMT2AL3MBTL1MAPT
SCHEMBL1075595 0.81 POLB (0.48) POLBMEN1KMT2AL3MBTL1MAPT
SCHEMBL18157746 0.81 ELANE (0.40) POLBL3MBTL1MAPTLMNAALDH1A1
SCHEMBL20866891 0.81 POLB (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17102845 0.76 ABCB1 (0.61) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL17102822 0.76 EGFR (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1757397 0.74 KDM4E (0.56) POLBMEN1KMT2AMAPTLMNA
SCHEMBL28034502 0.74 NTRK1 (0.41) GABRPGABRDGABRA1GABRB1GABRG2

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-20180155286-A1 ANTIBIOTIC SENSITIVITY-RESTORING AND PHOTOSENSITIVE AGENTS NEW MEXICO TECH UNIVERSITY RESEARCH PARK CORPORATION 2018-06-07 US disclosed
US-9834514-B2 Antibiotic sensitivity-restoring and photosensitive agents NEW MEXICO TECH RESEARCH FOUNDATION (US) 2017-12-05 US disclosed
US-20160304453-A1 ANTIBIOTIC SENSITIVITY-RESTORING AND PHOTOSENSITIVE AGENTS NEW MEXICO TECH UNIVERSITY RESEARCH PARK CORPORATION 2016-10-20 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-20180155286-A1 ANTIBIOTIC SENSITIVITY-RESTORING AND PHOTOSENSITIVE AGENTS XPA, PPOX, ALAD GABRP 4366/4885GABRD 4416/4885GABRA1 4501/4885
US-20160304453-A1 ANTIBIOTIC SENSITIVITY-RESTORING AND PHOTOSENSITIVE AGENTS XPA, PPOX, ALAD GABRP 4366/4885GABRD 4416/4885GABRA1 4501/4885

“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.