SCHEMBL3947644

SCHEMBL3947644

CN(C)c1nc(Nc2ccc(NC(=O)C(F)(F)F)cc2)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PKM P14618 1/20 0.46
KLF5 Q13887 1/20 0.46
KDM4E B2RXH2 3/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM1A O60341 1/20 0.44
MITF O75030 1/20 0.44
POLB P06746 1/20 0.44
RAD52 P43351 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MCHR1 Q99705 4/20 0.44
ADRA2A P08913 3/20 0.44
SLC2A1 P11166 1/20 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
Trifluoroacetic Acid SCHEMBL3947650 0.85 NPC1 (0.51) TP53L3MBTL1NPC1RAB9APKM
Trifluoroacetic Acid SCHEMBL3947641 0.83 KDM1A (0.54) TP53L3MBTL1NPC1RAB9APKM
SCHEMBL3938288 0.82 ABCG2 (0.47) TP53L3MBTL1NPC1RAB9APKM
SCHEMBL937937 0.81 NPY5R (0.60) TP53L3MBTL1NPC1RAB9APKM
SCHEMBL13797645 0.78 KDM4E (0.51) TP53L3MBTL1NPC1RAB9APKM
SCHEMBL13796619 0.76 CTNNB1 (0.52) TP53NPC1RAB9AKDM4ELMNA
Hydrochloric Acid SCHEMBL3939478 0.76 NPC1 (0.64) TP53L3MBTL1NPC1RAB9APKM
SCHEMBL13797643 0.76 MAPT (0.50) TP53L3MBTL1NPC1RAB9APKM
SCHEMBL13797653 0.76 RXFP1 (0.56) TP53NPC1RAB9AKDM4ELMNA
SCHEMBL13797658 0.75 TDP1 (0.60) L3MBTL1KDM4ELMNAMAPTKMT2A

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-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US disclosed
EP-1432693-A2 MCH RECEPTOR ANTAGONISTS Taisho Pharmaceutical Co. Ltd. (JP) 2004-06-30 EP disclosed
WO-2003028641-A2 MCH RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-04-10 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 (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-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide MCHR1, MCHR2, MC4R TP53 4774/4885L3MBTL1 2428/4885NPC1 1238/4885

“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.