SCHEMBL6461182

SCHEMBL6461182

Cc1cc(NC2CCC(NC(=O)N(OC(=O)C(F)(F)F)c3ccc(Cl)c(Cl)c3)CC2)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MCHR1 Q99705 9/20 0.43
ADRA2A P08913 6/20 0.43
GPR6 P46095 2/20 0.38
RXFP1 Q9HBX9 3/20 0.36
RAB9A P51151 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL6458364 0.90 KDM4E (0.46) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6457581 0.87 KDM4E (0.48) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6467235 0.87 LMNA (0.48) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6457769 0.86 LMNA (0.46) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
Trifluoroacetic Acid SCHEMBL6461174 0.78 SMN1; SMN2 (0.49) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6465690 0.77 ADRA2A (0.66) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6465697 0.77 ADRA2A (0.66) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
Hydrochloric Acid SCHEMBL6456895 0.76 ADRA2A (0.65) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
Hydrochloric Acid SCHEMBL6456904 0.76 ADRA2A (0.65) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6467255 0.74 SMN1; SMN2 (0.51) KDM4ELMNASMN1; SMN2MCHR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 KDM4E 1190/4885LMNA 3391/4885SMN1; SMN2 1477/4885

“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.