SCHEMBL5361256

SCHEMBL5361256

COc1cccc(-c2ccccc2C(=O)N(Cc2ccc3c(c2)OCO3)C2Cc3ccccc3C2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
MCHR1 Q99705 2/20 0.44
KMT2A Q03164 3/20 0.43
GAA P10253 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 2/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SHH Q15465 1/20 0.41
SMO Q99835 1/20 0.41
F2R P25116 1/20 0.41
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
MEN1 O00255 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
SCHEMBL5136528 0.88 GABRA1 (0.46) GABRA1GABRB2KMT2AGAAALDH1A1
SCHEMBL5359163 0.86 KMT2A (0.48) KMT2AGAAALDH1A1LMNASMN1; SMN2
SCHEMBL5136129 0.86 HTR2A (0.46) KMT2AGAAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL5373175 0.85 TP53 (0.49) KMT2AMEN1
SCHEMBL5364389 0.85 MAPT (0.46) KMT2AGAAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL5136851 0.80 ALDH1A1 (0.42) GABRA1GABRB2KMT2AGAAALDH1A1
SCHEMBL5134546 0.79 ALDH1A1 (0.45) KMT2AGAAALDH1A1HPGDLMNA
SCHEMBL5135714 0.79 LMNA (0.45) KMT2AGAAALDH1A1HPGDLMNA
SCHEMBL5136064 0.78 KMT2A (0.50) KMT2AALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL5370790 0.77 KMT2A (0.48) KMT2AGAAALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040048913-A1 Substituted biaryl amides as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-03-11 US claimed
US-7291621-B2 Substituted biaryl amides C5a receptor modulators NEUROGEN CORPORATION (US) 2007-11-06 US disclosed
US-7291621-B2 Substituted biaryl amides C5a receptor modulators NEUROGEN CORPORATION (US) 2007-11-06 US disclosed
US-7291621-B2 Substituted biaryl amides C5a receptor modulators NEUROGEN CORPORATION (US) 2007-11-06 US disclosed
US-7148225-B2 Substituted biaryl amides as C5A receptor modulators NEUROGEN CORPORATION (US) 2006-12-12 US disclosed
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2006-08-10 US disclosed
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2005-05-05 US disclosed
US-6858637-B2 Treating rheumatoid arthritis, psoriasis, cardiovascular disease, reperfusion injury, and bronchial asthma; e.g., 2-Methoxynaphthalene-1-carboxylic acid benzyl-indan-2-yl-amide NEUROGEN CORPORATION (US) 2005-02-22 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 (3 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-20040048913-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 GABRA1 416/4885GABRB2 799/4885MCHR1 492/4885
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators C5AR1, C5AR2, C3AR1 GABRA1 429/4885GABRB2 783/4885MCHR1 531/4885
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 GABRA1 429/4885GABRB2 783/4885MCHR1 531/4885

“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.