SCHEMBL2969774

SCHEMBL2969774

Cc1ccc(Sc2ccccc2F)c(N)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.62
SLC6A2 P23975 12/20 0.62
SLC6A3 Q01959 9/20 0.62
TDP1 Q9NUW8 2/20 0.57
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALOX15 P16050 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA1 P00915 1/20 0.40

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
SCHEMBL16268913 0.82 HTR1A (0.51) SLC6A4SLC6A2SLC6A3TDP1ALOX15
SCHEMBL1341376 0.79 MEN1 (0.52) SLC6A4SLC6A2SLC6A3ALDH1A1CYP3A4
SCHEMBL30567146 0.79 MEN1 (0.52) SLC6A4SLC6A2SLC6A3ALDH1A1CYP3A4
SCHEMBL810752 0.77 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3TDP1NPC1
SCHEMBL28867147 0.76 G6PD (0.47) SLC6A4SLC6A2SLC6A3TDP1ALDH1A1
SCHEMBL29773377 0.75 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3TDP1NPC1
SCHEMBL14723181 0.75 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3TDP1NPC1
SCHEMBL30338359 0.75 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3TDP1NPC1
SCHEMBL4130402 0.75 ALOX15 (0.48) SLC6A4SLC6A2SLC6A3TDP1NPC1
SCHEMBL3195118 0.74 KDM4E (0.71) SLC6A4SLC6A2SLC6A3TDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
CN-102702194-A Anti-viral compounds ABBOTT LAB 2012-10-03 CN disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
CN-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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 (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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 SLC6A4 4037/4885SLC6A2 4033/4885SLC6A3 3970/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 SLC6A4 4037/4885SLC6A2 4033/4885SLC6A3 3970/4885

“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.