SCHEMBL2959822

SCHEMBL2959822

COC(C(=O)Nc1ccc(Sc2ccc(C)cc2Nc2ccnc3nc(C)ccc23)cc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
PIM1 P11309 1/20 0.38
AKT2 P31751 1/20 0.38
PSEN1 P49768 3/20 0.37
PSEN2 P49810 3/20 0.37
APH1B Q8WW43 3/20 0.37
NCSTN Q92542 3/20 0.37
APH1A Q96BI3 3/20 0.37
PSENEN Q9NZ42 3/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
KDM4E B2RXH2 1/20 0.36
KDR P35968 1/20 0.35

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
SCHEMBL2022548 0.88 ALDH1A1 (0.48) ALDH1A1L3MBTL1SMN1; SMN2LMNAPIM1
SCHEMBL2023477 0.84 AURKA (0.41) ALDH1A1KMT2ASMN1; SMN2MAPTMEN1
SCHEMBL2968604 0.82 SMN1; SMN2 (0.38) ALDH1A1L3MBTL1KMT2ASMN1; SMN2MAPT
SCHEMBL2018796 0.82 PIM1 (0.42) GAAL3MBTL1KMT2ASMN1; SMN2MAPT
SCHEMBL2970840 0.81 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2MAPTPIM1AKT2
SCHEMBL2970598 0.81 SMN1; SMN2 (0.43) ALDH1A1GAAKMT2ASMN1; SMN2MAPT
SCHEMBL2970540 0.81 KDM4E (0.47) ALDH1A1GAAKMT2ASMN1; SMN2MAPT
SCHEMBL2964541 0.80 CETP (0.47) ALDH1A1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL2961608 0.80 RAB9A (0.46) ALDH1A1SMN1; SMN2MAPTPIM1AKT2
SCHEMBL2968986 0.80 PIM1 (0.41) ALDH1A1GAAL3MBTL1MAPTLMNA

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 7 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
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 ALDH1A1 2723/4885GAA 504/4885L3MBTL1 2884/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885GAA 504/4885L3MBTL1 2884/4885

“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.