SCHEMBL2960977

SCHEMBL2960977

CC(=O)Nc1ccc(Sc2ccc(OCc3ccc(C#N)cc3)cc2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
SMPD1 P17405 1/20 0.43
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.40
POLB P06746 2/20 0.40
MAOB P27338 1/20 0.40
CYP3A4 P08684 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
PLA2G7 Q13093 1/20 0.39

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
SCHEMBL2963008 0.87 KDM4E (0.48) RAB9ANPC1MEN1KMT2ASMPD1
SCHEMBL2968592 0.87 MEN1 (0.51) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL2957105 0.85 MAPT (0.52) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL811078 0.84 CYP3A4 (0.46) RAB9ASMPD1MAOBCYP3A4LMNA
SCHEMBL2019227 0.83 LMNA (0.42) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL2021283 0.81 MAOB (0.48) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL2974015 0.80 MAOB (0.49) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL2964251 0.80 MTNR1A (0.48) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL2969123 0.79 ALDH1A1 (0.47) RAB9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL2968475 0.78 GPR174 (0.48) RAB9ANPC1MEN1KMT2AKDM4E

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 RAB9A 571/4885NPC1 37/4885MEN1 4571/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 RAB9A 571/4885NPC1 37/4885MEN1 4571/4885

“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.