SCHEMBL10036720

SCHEMBL10036720

NC1CCOc2c(Br)cc(Br)cc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.36
AHR P35869 2/20 0.34
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1A P35348 1/20 0.32
MEN1 O00255 1/20 0.31
CRHBP P24387 1/20 0.31
KMT2A Q03164 1/20 0.31
CRHR2 Q13324 1/20 0.31
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL10036710 1.00 TERT (0.36) TERTAHRADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL2171764 0.98 TERT (0.35) TERTAHRADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL29200781 0.98 TERT (0.35) TERTAHRADRA2AADRA2BADRA2C
SCHEMBL2172848 0.79 MAP3K14 (0.40) TERTAHRADRA2AADRA2BADRA2C
SCHEMBL23976381 0.75 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL31347590 0.74 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL4142656 0.71 ADRA2A (0.50) AHRADRA2AMAOB
SCHEMBL14904042 0.71 TERT (0.32) TERT
SCHEMBL10036680 0.70 HTR2A (0.35) TERT
Hydrochloric Acid SCHEMBL21810776 0.70 ADRA2A (0.49) AHRADRA2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601193-B1 COMPOUNDS WITH ANTIBACTERIAL ACTIVITY AGAINST CLOSTRIDIUM ELANCO ANIMAL HEALTH IRELAND (IE) 2015-03-11 EP disclosed
US-20130109694-A1 COMPOUNDS WITH ANTIBACTERIAL ACTIVITY AGAINST CLOSTRIDIUM ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-05-02 US disclosed
US-20130109694-A1 COMPOUNDS WITH ANTIBACTERIAL ACTIVITY AGAINST CLOSTRIDIUM ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-05-02 US disclosed
WO-2012017030-A1 COMPOUNDS WITH ANTIBACTERIAL ACTIVITY AGAINST CLOSTRIDIUM ELANCO ANIMAL HEALTH IRELAND LIMITED (IE) 2012-02-09 WO 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-20130109694-A1 COMPOUNDS WITH ANTIBACTERIAL ACTIVITY AGAINST CLOSTRIDIUM VIP, PRF1, C5 TERT 4725/4885AHR 4330/4885ADRA2A 4241/4885

“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.