SCHEMBL5359598

SCHEMBL5359598

O=C(c1ccccc1-c1cccc(Cl)c1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
TSHR P16473 2/20 0.52
KDM4E B2RXH2 1/20 0.51
TP53 P04637 1/20 0.48
LPAR1 Q92633 3/20 0.45
MAPK1 P28482 2/20 0.45
RORB Q92753 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45
CHRM1 P11229 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM3 P20309 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AOC3 Q16853 1/20 0.43

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
SCHEMBL5365253 0.89 TSHR (0.55) PIN1MEN1KMT2AALDH1A1TSHR
SCHEMBL5353976 0.85 MEN1 (0.71) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL5072408 0.85 TSHR (0.53) PIN1MEN1KMT2AALDH1A1TSHR
SCHEMBL5361120 0.85 MEN1 (0.58) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL5358590 0.84 KMT2A (0.58) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL5361790 0.84 LPAR1 (0.56) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL5365302 0.81 TSHR (0.52) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL5362417 0.79 ALDH1A1 (0.52) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL5364546 0.79 TSHR (0.59) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL5366097 0.78 TSHR (0.55) MEN1KMT2AALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2005-05-05 US claimed
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 PIN1 4579/4885MEN1 2253/4885KMT2A 4285/4885
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators C5AR1, C5AR2, C3AR1 PIN1 4536/4885MEN1 2407/4885KMT2A 4155/4885
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 PIN1 4536/4885MEN1 2407/4885KMT2A 4155/4885

“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.