SCHEMBL1826738

SCHEMBL1826738

CCOC(=O)Nc1ccc(N(F)Cc2ccccc2)cc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 5/20 0.60
KCNQ4 P56696 4/20 0.51
KCNQ3 O43525 4/20 0.51
KCNQ5 Q9NR82 3/20 0.51
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HDAC1 Q13547 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ABCB11 O95342 1/20 0.41

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
SCHEMBL20129839 0.84 KCNQ2 (0.53) KCNQ2KCNQ4KCNQ3KCNQ5CYP1A2
SCHEMBL14638232 0.82 PKM (0.50) KCNQ2KCNQ4CYP1A2CYP2C9CYP2C19
SCHEMBL10669484 0.81 KCNQ2 (0.50) KCNQ2KCNQ4KCNQ3KCNQ5CYP1A2
SCHEMBL15172819 0.79 KCNQ2 (0.71) KCNQ2KCNQ4KCNQ3KCNQ5CYP1A2
SCHEMBL19700186 0.78 KCNQ2 (0.79) KCNQ2KCNQ4KCNQ3KCNQ5CYP1A2
SCHEMBL19700187 0.78 KCNQ2 (0.59) KCNQ2KCNQ4KCNQ3KCNQ5CYP1A2
SCHEMBL19700144 0.77 KCNQ2 (0.63) KCNQ2KCNQ4KCNQ3KCNQ5CYP1A2
SCHEMBL26974038 0.77 KCNQ2 (0.58) KCNQ2KCNQ4KCNQ3KCNQ5HDAC1
SCHEMBL15996908 0.76 KCNQ2 (0.68) KCNQ2KCNQ4KCNQ3KCNQ5CYP1A2
SCHEMBL15996880 0.76 KCNQ2 (0.74) KCNQ2KCNQ4KCNQ3KCNQ5CYP1A2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100323015-A1 MODIFIED RELEASE FORMULATION AND METHODS OF USE BAUSCH HEALTH COMPANIES INC. (CA) 2010-12-23 US claimed
US-20100323016-A1 MODIFIED RELEASE FORMULATION AND METHODS OF USE SOLTA MEDICAL DUTCH HOLDINGS B.V. (NL) 2010-12-23 US claimed
US-20100120906-A1 MODIFIED RELEASE FORMULATION AND METHODS OF USE VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2010-05-13 US claimed
WO-2010009433-A1 MODIFIED RELEASE FORMULATION AND METHODS OF USE VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2010-01-21 WO claimed
CN-102170879-B Modified release formulation and methods of use VALEANT PHARMACEUTICALS INT 2014-03-05 CN disclosed
EP-2525660-A1 MODIFIED RELEASE FORMULATION AND METHODS OF USE Valeant Pharmaceuticals International (US) 2012-11-28 EP disclosed
EP-2525788-A2 NOVEL RETIGABINE COMPOSITION Glaxo Group Limited (GB) 2012-11-28 EP disclosed
CN-102802615-A Novel retigabine compositions GLAXO GROUP LTD 2012-11-28 CN disclosed
US-20120288544-A1 NOVEL RETIGABINE COMPOSITION GLAXO GROUP LIMITED (GB) 2012-11-15 US disclosed
WO-2011089126-A3 NOVEL RETIGABINE COMPOSITION GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed
CN-102170879-A Modified release formulation and methods of use VALEANT PHARMACEUTICALS INT 2011-08-31 CN disclosed
WO-2011090923-A1 MODIFIED RELEASE FORMULATION AND METHODS OF USE VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2011-07-28 WO disclosed
US-20100323015-A1 MODIFIED RELEASE FORMULATION AND METHODS OF USE BAUSCH HEALTH COMPANIES INC. (CA) 2010-12-23 US disclosed
US-20100323015-A1 MODIFIED RELEASE FORMULATION AND METHODS OF USE BAUSCH HEALTH COMPANIES INC. (CA) 2010-12-23 US disclosed
US-20100120906-A1 MODIFIED RELEASE FORMULATION AND METHODS OF USE VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2010-05-13 US disclosed
US-20100120906-A1 MODIFIED RELEASE FORMULATION AND METHODS OF USE VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2010-05-13 US disclosed
WO-2010009433-A1 MODIFIED RELEASE FORMULATION AND METHODS OF USE VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2010-01-21 WO disclosed
WO-2010009433-A1 MODIFIED RELEASE FORMULATION AND METHODS OF USE VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2010-01-21 WO disclosed
EP-0956281-A1 NOVEL MODIFICATIONS TO 2-AMINO-4-(4-FLUOROBENZYLAMINO)-1-ETHOXYCARBONYL-AMINOBENZENE AND PROCESSES FOR PREPARING SAID COMPOUND ASTA Medica Aktiengesellschaft (DE) 1999-11-17 EP disclosed
WO-1998031663-A1 NOVEL MODIFICATIONS TO 2-AMINO-4-(4-FLUOROBENZYLAMINO)-1-ETHOXYCARBONYL-AMINOBENZENE AND PROCESSES FOR PREPARING SAID COMPOUND ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1998-07-23 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 (4 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-20100323015-A1 MODIFIED RELEASE FORMULATION AND METHODS OF USE HNMT, HCN3, CACNA1E KCNQ2 174/4885KCNQ4 264/4885KCNQ3 308/4885
US-20100120906-A1 MODIFIED RELEASE FORMULATION AND METHODS OF USE HNMT, HCN3, HRH4 KCNQ2 301/4885KCNQ4 383/4885KCNQ3 433/4885
US-20120288544-A1 NOVEL RETIGABINE COMPOSITION CNR2, CNR1, CACNA1B KCNQ2 25/4885KCNQ4 61/4885KCNQ3 64/4885
US-20100323016-A1 MODIFIED RELEASE FORMULATION AND METHODS OF USE HNMT, HCN3, CACNA1E KCNQ2 174/4885KCNQ4 264/4885KCNQ3 308/4885

“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.