SCHEMBL16632533

SCHEMBL16632533

Brc1cc2c(Br)cccc2o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.37
MAOB P27338 2/20 0.37
F2RL3 Q96RI0 1/20 0.36
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRE P78334 2/20 0.35
GABRA6 Q16445 2/20 0.35
GABRG1 Q8N1C3 2/20 0.35
GABRG3 Q99928 2/20 0.35
GABRQ Q9UN88 2/20 0.35
AHR P35869 3/20 0.34

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
SCHEMBL31070421 0.80 MEN1 (0.36) MAOAMAOBF2RL3GABRPGABRD
SCHEMBL29208144 0.80 MEN1 (0.36) MAOAMAOBF2RL3GABRPGABRD
SCHEMBL2091286 0.78 MAOA (0.35) MAOAMAOBF2RL3GABRPGABRD
SCHEMBL30421443 0.78 AHR (0.38) MAOAMAOBF2RL3GABRPGABRD
SCHEMBL5035815 0.78 CYP1A1 (0.40) MAOAMAOBF2RL3GABRPGABRD
SCHEMBL31326155 0.78 AHR (0.42) F2RL3GABRPGABRDGABRA1GABRB1
SCHEMBL5031396 0.77 CYP11B1 (0.38) MAOAMAOBF2RL3GABRPGABRD
SCHEMBL8440809 0.75 ALDH1A1 (0.38) MAOAMAOBF2RL3GABRPGABRD
SCHEMBL1864564 0.75 F2RL3 (0.39) MAOAMAOBF2RL3GABRPGABRD
SCHEMBL8441084 0.74 HDAC6 (0.38) MAOAMAOBF2RL3MEN1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 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-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR MAOA 1754/4885MAOB 1251/4885F2RL3 1491/4885

“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.