SCHEMBL9967909

SCHEMBL9967909

O=C(Nc1ccccc1)c1cc(Br)ccc1Br

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.67
HSPE1 P61604 1/20 0.67
MAPT P10636 3/20 0.66
RAB9A P51151 2/20 0.66
POLB P06746 2/20 0.66
NPC1 O15118 1/20 0.65
F12 P00748 1/20 0.59
PPARG P37231 1/20 0.59
KMT2A Q03164 5/20 0.57
USP2 O75604 1/20 0.57
MEN1 O00255 4/20 0.57
AVPR2 P30518 1/20 0.57
GPR27 Q9NS67 1/20 0.57
ALDH1A1 P00352 3/20 0.55
HTT P42858 2/20 0.55
EGFR P00533 1/20 0.55
LMNA P02545 1/20 0.55
ERBB2 P04626 1/20 0.55
CYP1A2 P05177 1/20 0.55
LCK P06239 1/20 0.55

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
SCHEMBL30343477 0.85 TMPRSS4 (0.67) HSPD1HSPE1RAB9APOLBNPC1
SCHEMBL330113 0.85 TMPRSS4 (0.67) HSPD1HSPE1RAB9APOLBNPC1
SCHEMBL23825504 0.85 SORT1 (0.74) HSPD1HSPE1F12AVPR2GPR27
SCHEMBL29980628 0.85 SORT1 (0.74) HSPD1HSPE1F12AVPR2GPR27
SCHEMBL10289025 0.83 POLB (0.61) HSPD1HSPE1MAPTRAB9APOLB
SCHEMBL11636637 0.83 TMPRSS4 (0.69) HSPD1HSPE1MAPTRAB9ANPC1
SCHEMBL11575251 0.83 ALDH1A1 (0.57) HSPD1HSPE1MAPTRAB9APOLB
Dibromsalan SCHEMBL29211119 0.82 PLAU (0.66) HSPD1HSPE1MAPTRAB9APOLB
SCHEMBL338230 0.82 HSPD1 (0.57) HSPD1HSPE1MAPTRAB9APOLB
SCHEMBL882734 0.82 KMT2A (0.80) HSPD1HSPE1MAPTRAB9ANPC1

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-20150232455-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2015-08-20 US disclosed
US-20150232455-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2015-08-20 US disclosed
WO-2012083059-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-06-21 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-20150232455-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS HSPD1 1014/4885HSPE1 730/4885MAPT 2328/4885

“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.