SCHEMBL2969912

SCHEMBL2969912

Cc1ccc(C)n1-c1cccc(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
KMT2A Q03164 5/20 0.54
MEN1 O00255 2/20 0.54
ASIC3 Q9UHC3 1/20 0.46
COMT P21964 1/20 0.44
KDM4E B2RXH2 7/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 3/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 6/20 0.39
PKM P14618 3/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SREBF2 Q12772 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL6696955 0.84 RAB9A (0.42) RAB9AKMT2AMEN1KDM4ENPC1
SCHEMBL6621303 0.82 KDM4E (0.50) RAB9AKMT2AMEN1KDM4ENPC1
SCHEMBL6622244 0.82 HTR2A (0.46) HTR1ADRD2HTR2AHTR7
SCHEMBL9848050 0.82 MAPT (0.47) RAB9AKMT2AMEN1KDM4ENPC1
SCHEMBL6700787 0.81 CYP2A6 (0.53) ALDH1A1
SCHEMBL6618761 0.80 KDM4E (0.38) RAB9AKMT2AMEN1COMTKDM4E
SCHEMBL18586993 0.80 MAPT (0.45) RAB9AKMT2AMEN1KDM4ENPC1
SCHEMBL6701320 0.79 KDM4E (0.37) RAB9AKMT2AMEN1COMTKDM4E
SCHEMBL6620028 0.79 KLKB1 (0.54) RAB9AKMT2AMEN1NPC1LMNA
SCHEMBL6618175 0.78 NOS1 (0.36) RAB9AKMT2AMEN1KDM4ENPC1

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
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 RAB9A 571/4885KMT2A 3566/4885MEN1 4571/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 RAB9A 571/4885KMT2A 3566/4885MEN1 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.