SCHEMBL2848914

SCHEMBL2848914

COc1ccc(-c2n[nH]c(C(N)=O)c2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
ALDH1A1 P00352 3/20 0.55
HSP90AA1 P07900 3/20 0.55
CCNE2 O96020 3/20 0.49
CDK4 P11802 3/20 0.49
CCND1 P24385 3/20 0.49
CCNE1 P24864 3/20 0.49
CDK2 P24941 3/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
BACE1 P56817 1/20 0.45
GAA P10253 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
PARP1 P09874 1/20 0.45
PARP10 Q53GL7 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
PARP4 Q9UKK3 1/20 0.45
LMNA P02545 2/20 0.44

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
SCHEMBL4638325 0.81 RAB9A (0.70) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL8188564 0.81 PARP10 (0.55) MAPTALDH1A1CCNE2CDK4CCND1
SCHEMBL27578364 0.79 BACE1 (0.55) MAPTALDH1A1HSP90AA1CCNE2CDK4
SCHEMBL2089484 0.76 KMT2A (0.53) MAPTALDH1A1CCNE2CDK4CCND1
SCHEMBL17966240 0.75 SMN1; SMN2 (0.60) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL3120095 0.73 NOX1 (0.56) MAPTALDH1A1CDK2RAB9AMEN1
SCHEMBL5372947 0.72 MAP2K4 (0.66) MEN1KMT2ACA1CA2PARP1
SCHEMBL3125676 0.72 NOX1 (0.51) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL5274491 0.72 HSP90AA1 (1.00) MAPTHSP90AA1CDK2MEN1KMT2A
SCHEMBL8188562 0.71 CDK2 (0.61) HSP90AA1CCNE2CDK4CCND1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF WYETH (US) 2010-02-04 US disclosed
EP-2118067-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Siena Biotech S.p.A. (IT) 2009-11-18 EP disclosed
WO-2008087529-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH S.P.A. (IT) 2008-07-24 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-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA2, CHRNA6 MAPT 933/4885ALDH1A1 1232/4885HSP90AA1 2716/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 MAPT 501/4885ALDH1A1 2163/4885HSP90AA1 3298/4885

“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.