Sugi Predict

Sugi Predict / Compounds / SCHEMBL2968599

SCHEMBL2968599

SCHEMBL2968599

CCCc1ccc2c(Nc3cc(C)ccc3Sc3ccc(NC(C)=O)cc3F)ccnc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SREBF2 Q12772 1/20 0.40
▸ HDAC3 O15379 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ NPC1 O15118 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KDR P35968 2/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ TGFB2 P61812 1/20 0.33
▸ RAB9A P51151 4/20 0.32
▸ PKM P14618 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL2970147 0.92 SREBF2 (0.38) SREBF2HDAC3HDAC1HDAC6SMN1; SMN2
SCHEMBL2961153 0.89 SREBF2 (0.44) SREBF2SMN1; SMN2NPC1MAPTMEN1
SCHEMBL2955721 0.86 KDR (0.39) SREBF2SMN1; SMN2NPC1MAPTMEN1
SCHEMBL2961843 0.86 KDM4E (0.37) SREBF2SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2968098 0.84 SREBF2 (0.39) SREBF2SMN1; SMN2NPC1MAPTMEN1
SCHEMBL2018147 0.83 AURKA (0.39) SREBF2SMN1; SMN2NPC1MAPTMEN1
SCHEMBL2961423 0.82 AURKA (0.40) SREBF2SMN1; SMN2NPC1MAPTMEN1
SCHEMBL2965361 0.80 SREBF2 (0.44) SREBF2SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2971544 0.80 AURKA (0.38) SREBF2SMN1; SMN2NPC1MAPTMEN1
SCHEMBL2969099 0.79 KDR (0.38) SMN1; SMN2MAPTMEN1KMT2AKDR

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 8 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
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
WO-2010062927-A2 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-06-03 — — WO 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 SREBF2 876/4885HDAC3 380/4885HDAC1 1024/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 SREBF2 876/4885HDAC3 380/4885HDAC1 1024/4885

“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.