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SCHEMBL3849152

SCHEMBL3849152

CCCNC(=O)c1ccc(N/C(=C2\C(=O)Nc3cc(C(=O)OC)ccc32)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 4/20 0.47
▸ KMT2A Q03164 4/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ PTPN1 P18031 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ BACE1 P56817 2/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL2568771 0.96 NAMPT (0.45) NAMPTKMT2ACTDSP1PTPN1MEN1
SCHEMBL3849509 0.92 KMT2A (0.42) NAMPTKMT2ACTDSP1PTPN1MEN1
SCHEMBL3850615 0.90 TDP1 (0.53) NAMPTKMT2AMEN1HDAC3HDAC1
SCHEMBL2568750 0.90 L3MBTL1 (0.45) NAMPTKMT2ABACE1HDAC3HDAC1
SCHEMBL3846251 0.90 MCHR1 (0.44) NAMPTKMT2ACTDSP1PTPN1MEN1
SCHEMBL3848974 0.90 KMT2A (0.41) NAMPTKMT2ACTDSP1PTPN1MEN1
SCHEMBL2570316 0.90 BACE1 (0.44) NAMPTKMT2AMEN1BACE1HDAC3
SCHEMBL2563762 0.89 NAMPT (0.45) NAMPTKMT2ABACE1HDAC3HDAC1
SCHEMBL3850419 0.89 PDGFRB (0.48) NAMPTKMT2ACTDSP1MEN1POLB
SCHEMBL3844906 0.88 KMT2A (0.39) NAMPTKMT2ACTDSP1PTPN1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1830842-B1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2009-04-22 — — EP disclosed
US-20090048267-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 — — US disclosed
US-20060154939-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-13 — — US disclosed
US-6858641-B2 Substituted indolinones BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-22 — — US disclosed
US-20030092756-A1 Substituted indolinones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-05-15 — — 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-20030092756-A1 Substituted indolinones CDK1, CDK2, CDKL1 NAMPT 3118/4885KMT2A 2176/4885CTDSP1 531/4885
US-20060154939-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases MMP1, COL1A1, FOXM1 NAMPT 853/4885KMT2A 4592/4885CTDSP1 3824/4885
US-20090048267-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 NAMPT 924/4885KMT2A 4673/4885CTDSP1 3758/4885

“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.