SCHEMBL8007654

SCHEMBL8007654

CC(C)Nc1ncc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.48
KMT2A Q03164 5/20 0.46
HTT P42858 3/20 0.46
MEN1 O00255 2/20 0.46
HSD17B10 Q99714 1/20 0.46
PDE10A Q9Y233 1/20 0.44
POLB P06746 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
MAPT P10636 5/20 0.40
GAA P10253 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HSP90AA1 P07900 1/20 0.40
OPRK1 P41145 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GLP1R P43220 1/20 0.39

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
SCHEMBL12411169 0.82 PDE10A (0.43) CRHR1KMT2AHTTMEN1HSD17B10
SCHEMBL15781884 0.82 PDE10A (0.41) CRHR1KMT2AHTTMEN1HSD17B10
SCHEMBL17131647 0.81 IRAK4 (0.43) CRHR1KMT2AHTTMEN1HSD17B10
SCHEMBL26239673 0.81 GABRA1 (0.39) CRHR1KMT2AHTTMEN1HSD17B10
SCHEMBL15781881 0.78 PDE10A (0.44) CRHR1KMT2AHTTMEN1HSD17B10
SCHEMBL12909531 0.77 KMT2A (0.50) CRHR1KMT2AHTTMEN1HSD17B10
SCHEMBL15635181 0.75 DHODH (0.48) HSD17B10PDE10AIRAK4KDM4EALDH1A1
SCHEMBL2813594 0.73 MAPK1 (0.44) KMT2AMEN1PDE10APOLBSMN1; SMN2
SCHEMBL7790446 0.73 FDPS (0.55) CRHR1
SCHEMBL1198968 0.72 HTT (0.46) CRHR1KMT2AHTTMEN1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073858-B2 Methods of targeted drug development Errico, Joseph P. (US) 2015-07-07 US disclosed
US-20140194439-A1 METHODS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-07-10 US disclosed
US-20140163069-A1 COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-12 US disclosed
US-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2011-12-08 US disclosed
US-7879795-B2 can be coadministered with antimicrobial agents for treatment of infections caused by drug resistant bacteria; 2-Amino-N-{4-Amino-1-[-3-phenyl-1-(R)-(quinolin-3-ylcarbomoyl)-propylcarbamoyl]-butyl}succinamic acid; 2,5-Diamino-pentanoic acid [3-phenyl-1-(R)-(4-phenyl-thiazol-2-ylcarbamoyl)-propyl]-amide MPEX PHARMACEUTICALS, INC. (US) 2011-02-01 US disclosed
WO-2009143156-A2 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SEPRACOR INC. (US) 2009-11-26 WO disclosed
US-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS REMPEX PHARMACEUTICALS, INC. 2008-03-27 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 (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-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 CRHR1 3513/4885KMT2A 3667/4885HTT 1693/4885
US-20140163069-A1 COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 CRHR1 3697/4885KMT2A 3952/4885HTT 1698/4885
US-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS ABCB1, ABCB11, SLC47A2 CRHR1 4051/4885KMT2A 2401/4885HTT 2396/4885
US-20140194439-A1 METHODS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB4 CRHR1 3109/4885KMT2A 3588/4885HTT 1527/4885

“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.