SCHEMBL7946502

SCHEMBL7946502

O=C(NCC(c1ccccc1)c1ccccc1)c1[nH]c(=O)c2ccccc2c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.41
PARP1 P09874 1/20 0.41
LMNA P02545 1/20 0.39
P2RX7 Q99572 1/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PADI4 Q9UM07 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
F9 P00740 1/20 0.38
DUT P33316 1/20 0.38
SERPINE1 P05121 2/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL7947429 0.82 KMT2A (0.51) LMNAALDH1A1GAAKDM4EHTT
SCHEMBL7938107 0.74 CDC25B (0.46) TACR1PARP1ALDH1A1GAAKDM4E
SCHEMBL7950129 0.73 HPGD (0.54) LMNAALDH1A1KDM4EHTTRAB9A
SCHEMBL7947081 0.70 PARP1 (0.63) PARP1LMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL10204429 0.70 ALDH1A1 (0.69) PARP1ALDH1A1GAAKDM4EHTT
SCHEMBL31530566 0.68 NPC1 (0.73) TACR1LMNAP2RX7GAANPC1
SCHEMBL7947413 0.68 CNR1 (0.54) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL7944777 0.67 SERPINE1 (0.49) LMNAALDH1A1HTTNPC1RAB9A
SCHEMBL7948709 0.66 RAB9A (0.52) LMNAALDH1A1GAAKDM4EHTT
SCHEMBL2726717 0.66 LMNA (0.53) TACR1LMNAP2RX7NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513295-B2 Viral and fungal inhibitors GEORGETOWN UNIVERSITY (US) 2013-08-20 US disclosed
US-8513295-B2 Viral and fungal inhibitors GEORGETOWN UNIVERSITY (US) 2013-08-20 US disclosed
US-20110301208-A1 VIRAL AND FUNGAL INHIBITORS WICHITA STATE UNIVERSITY (US) 2011-12-08 US disclosed
US-20110301208-A1 VIRAL AND FUNGAL INHIBITORS WICHITA STATE UNIVERSITY (US) 2011-12-08 US disclosed
WO-2010039534-A2 VIRAL AND FUNGAL INHIBITORS GEORGETOWN UNIVERSITY (US) 2010-04-08 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-20110301208-A1 VIRAL AND FUNGAL INHIBITORS HAVCR2, ZC3HAV1, ERG28 TACR1 3458/4885PARP1 4603/4885LMNA 4322/4885

“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.