SCHEMBL9682567

SCHEMBL9682567

C=C(CN(C)C)C(=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 1.00
ALDH1A1 P00352 5/20 0.55
MAPT P10636 4/20 0.55
LMNA P02545 3/20 0.55
USP2 O75604 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
POLB P06746 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
ABL1 P00519 2/20 0.54
SRC P12931 2/20 0.53
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 1/20 0.48
XBP1 P17861 1/20 0.48
ATM Q13315 1/20 0.48
CES2 O00748 4/20 0.48
CES1 P23141 4/20 0.48
HIF1A Q16665 1/20 0.47
PAX8 Q06710 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
Hydrochloric Acid SCHEMBL4799828 0.98 EGFR (1.00) EGFRALDH1A1MAPTLMNAUSP2
SCHEMBL15245115 0.90 EGFR (0.81) EGFRALDH1A1MAPTLMNAUSP2
SCHEMBL11800908 0.89 EGFR (0.79) EGFRALDH1A1MAPTLMNAUSP2
SCHEMBL6222039 0.81 EGFR (0.69) EGFRALDH1A1MAPTLMNAHTT
SCHEMBL11799603 0.81 EGFR (0.69) EGFRALDH1A1MAPTLMNAUSP2
SCHEMBL11019161 0.81 EGFR (0.69) EGFRMAPTABL1SRCSMN1; SMN2
SCHEMBL6223672 0.81 EGFR (0.69) EGFRABL1SRCCES2CES1
Hydrochloric Acid SCHEMBL4803436 0.80 EGFR (0.70) EGFRALDH1A1MAPTLMNAHTT
Hydrochloric Acid SCHEMBL4810682 0.80 EGFR (0.70) EGFRABL1SRCCES2CES1
Hydrochloric Acid SCHEMBL4805251 0.80 EGFR (0.70) EGFRALDH1A1MAPTABL1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0156785-A1 2-(Aminoalkyl)-acrylophenones, their preparation and their use S.A.R.L. GALEPHAR (FR) 1985-10-02 EP claimed
EP-2819662-B1 REPROGRAMMING EFFECTOR PROTEIN INTERACTIONS TO CORRECT EPIGENETIC DEFECTS IN CANCER BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2019-04-10 EP disclosed
US-9552457-B2 Reprogramming effector protein interactions to correct epigenetic defects in cancer BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2017-01-24 US disclosed
US-9552457-B2 Reprogramming effector protein interactions to correct epigenetic defects in cancer BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2017-01-24 US disclosed
US-20150154345-A1 REPROGRAMMING EFFECTOR PROTEIN INTERACTIONS TO CORRECT EPIGENETIC DEFECTS IN CANCER BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2015-06-04 US disclosed
US-20150154345-A1 REPROGRAMMING EFFECTOR PROTEIN INTERACTIONS TO CORRECT EPIGENETIC DEFECTS IN CANCER BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2015-06-04 US disclosed
WO-2013127011-A1 REPROGRAMMING EFFECTOR PROTEIN INTERACTIONS TO CORRECT EPIGENETIC DEFECTS IN CANCER BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2013-09-06 WO disclosed
US-5169958-A Reacting, 3-amino-2-propen-1-ones with magnesium halide in solvent BASF AKTIENGESELLSCHAFT (DE) 1992-12-08 US disclosed
EP-0480242-A2 Method for the production of alpha,beta-unsaturated carbonyl compounds BASF Aktiengesellschaft (DE) 1992-04-15 EP disclosed
EP-0073456-B1 TETRAAZAANNULENE COBALT COMPLEX COMPOUNDS AND METHOD FOR PREPARATION THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1985-11-27 EP disclosed
EP-0156785-A1 2-(Aminoalkyl)-acrylophenones, their preparation and their use S.A.R.L. GALEPHAR (FR) 1985-10-02 EP 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 (1 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-20150154345-A1 REPROGRAMMING EFFECTOR PROTEIN INTERACTIONS TO CORRECT EPIGENETIC DEFECTS IN CANCER CBX2, BPTF, CBX4 EGFR 2572/4885ALDH1A1 4214/4885MAPT 2511/4885

“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.