SCHEMBL6503248

SCHEMBL6503248

COc1ccc(-c2ccc(C(F)(F)F)cc2)c(C(=O)Nc2ccc(OCCc3ccccn3)nc2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.49
HTR2A P28223 3/20 0.49
HTR2B P41595 3/20 0.49
SMO Q99835 2/20 0.47
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SCN9A Q15858 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
NPC1 O15118 1/20 0.42
TNF P01375 1/20 0.42
RAB9A P51151 1/20 0.42
NOD1 Q9Y239 1/20 0.42
MTTP P55157 3/20 0.42
RUVBL1 Q9Y265 1/20 0.41
APOB P04114 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
SCHEMBL6499684 0.91 SMO (0.50) SMOGAAMAPTTRPV1NPC1
SCHEMBL6794869 0.88 SMO (0.56) HTR2CHTR2AHTR2BSMOL3MBTL1
SCHEMBL6487848 0.87 SMO (0.46) SMOGAAMAPTTRPV1NPC1
SCHEMBL6491596 0.86 NPC1 (0.53) SMOGAAMAPTTRPV1NPC1
SCHEMBL6497088 0.85 HTR2C (0.51) HTR2CHTR2AHTR2BSMOGAA
SCHEMBL7086871 0.85 HTR2C (0.49) HTR2CHTR2AHTR2BSMOGAA
SCHEMBL6788361 0.85 SMO (0.56) HTR2CHTR2AHTR2BSMOL3MBTL1
SCHEMBL6794939 0.82 HTR2C (0.48) HTR2CHTR2AHTR2BSMOMAPT
SCHEMBL7080705 0.81 SMO (0.49) SMOGAATRPV1MTTPAPOB
SCHEMBL6793327 0.80 SMO (0.59) SMOGAATRPV1MTTPAPOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 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 (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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 HTR2C 1453/4885HTR2A 659/4885HTR2B 490/4885

“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.