SCHEMBL708785

SCHEMBL708785

Nc1ccc(NC(=O)Nc2ccc(CCO)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.68
MAPT P10636 1/20 0.68
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA9 Q16790 3/20 0.53
HRH3 Q9Y5N1 1/20 0.53
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
APEX1 P27695 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CNR1 P21554 1/20 0.46
PIK3CA P42336 1/20 0.46
MTOR P42345 1/20 0.46
PIK3CG P48736 1/20 0.46

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
SCHEMBL14052828 0.91 HRH3 (0.61) RAB9AMAPTCA12CA1CA2
SCHEMBL8866768 0.86 RAB9A (0.68) RAB9AMAPTCA12CA1CA2
SCHEMBL8867052 0.85 POLB (0.71) RAB9AMAPTCA12CA1CA2
SCHEMBL546197 0.84 TRPV1 (0.60) RAB9AMAPTCA12CA1CA2
SCHEMBL8868654 0.84 EPHX1 (0.63) RAB9AMAPTHRH3MEN1KMT2A
SCHEMBL8772924 0.82 RAB9A (1.00) RAB9AMAPTCA12CA1CA2
SCHEMBL17064271 0.82 KDM1A (0.58) RAB9AMAPTCA12CA1CA2
SCHEMBL8868957 0.82 CNR1 (0.59) RAB9AMAPTCA12CA1CA2
SCHEMBL6051 0.80 GFER (0.68) MAPTCA12CA1CA2CA9
SCHEMBL8047223 0.80 ALDH1A1 (0.56) RAB9ACA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124759-B2 Inhibitors of protein kinases ABBOTT LABORATORIES (US) 2012-02-28 US disclosed
EP-2150553-B1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PROTEIN KINASES ABBOTT LAB (US) 2011-10-05 EP disclosed
EP-2297151-A1 INHIBITORS OF PROTEIN KINASES Abbott Laboratories (US) 2011-03-23 EP disclosed
EP-2150553-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PROTEIN KINASES Abbott Laboratories (US) 2010-02-10 EP disclosed
WO-2009136966-A1 INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2009-11-12 WO disclosed
US-20090131425-A1 INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2009-05-21 US disclosed
US-20090023743-A1 INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (IL) 2009-01-22 US disclosed
WO-2008141145-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2008-11-20 WO disclosed
WO-2008141140-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2008-11-20 WO disclosed
US-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US 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-20090131425-A1 INHIBITORS OF PROTEIN KINASES AURKC, AURKB, PLK1 RAB9A 2327/4885MAPT 654/4885CA12 3926/4885
US-20090023743-A1 INHIBITORS OF PROTEIN KINASES AURKC, AURKB, PLK1 RAB9A 2327/4885MAPT 654/4885CA12 3926/4885

“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.