SCHEMBL3341828

SCHEMBL3341828

Cc1ccc(N)cc1N1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.70
MAPT P10636 7/20 0.70
MEN1 O00255 6/20 0.70
KMT2A Q03164 6/20 0.70
GAA P10253 4/20 0.70
THRB P10828 3/20 0.70
NR4A1 P22736 1/20 0.70
PTK2B Q14289 1/20 0.70
POLB P06746 2/20 0.56
KDM4E B2RXH2 4/20 0.55
CASP1 P29466 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
GFER P55789 2/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
YWHAG P61981 1/20 0.50
HTT P42858 2/20 0.49
RAD52 P43351 2/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL429632 0.85 MAPT (0.62) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL6156455 0.84 ALDH1A1 (0.96) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL923404 0.83 MAPT (0.62) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL241271 0.82 ALDH1A1 (0.93) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL7031588 0.80 ALDH1A1 (0.89) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL3162979 0.79 SLC18A3 (0.57) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL28770706 0.79 ALDH1A1 (0.71) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL6272228 0.78 ALDH1A1 (0.86) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL28147210 0.78 GAA (0.69) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL16727174 0.78 SLC18A3 (0.55) ALDH1A1MAPTMEN1KMT2ALMNA

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230102258-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2023-03-30 US disclosed
US-11400084-B2 Aminoamide compounds BIOTHERYX, INC. (US) 2022-08-02 US disclosed
EP-4015504-A1 C5AR ANTAGONISTS ChemoCentryx, Inc. (US) 2022-06-22 EP disclosed
EP-4015504-A1 C5AR ANTAGONISTS ChemoCentryx, Inc. (US) 2022-06-22 EP disclosed
EP-3508477-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2021-11-10 EP disclosed
US-20210145812-A1 AMINOAMIDE COMPOUNDS BIOTHERYX, INC. (US) 2021-05-20 US disclosed
US-10905684-B2 Aminoamide compounds BIOTHERYX, INC. (US) 2021-02-02 US disclosed
US-10660897-B2 C5aR antagonists CHEMOCENTRYX, INC. (US) 2020-05-26 US disclosed
EP-3508477-A1 C5AR ANTAGONISTS ChemoCentryx, Inc. (US) 2019-07-10 EP disclosed
EP-3078658-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2019-04-10 EP disclosed
US-20130172347-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2013-07-04 US disclosed
US-8445515-B2 C5aR antagonists CHEMOCENTRYX, INC. (US) 2013-05-21 US disclosed
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. FORMERLY KNOWN AS CHIRON CORPORATION (US) 2012-11-15 US disclosed
US-8299108-B2 for treatment of hematological/hormone-dependent cancer NOVARTIS AG (CH) 2012-10-30 US disclosed
US-20100311753-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2010-12-09 US disclosed
US-20100160320-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2010-06-24 US disclosed
CN-1913884-A Substituted benzazoles and methods of their use as inhibitors of RAF kinase CHIRON CORP (US) 2007-02-14 CN disclosed
EP-1675584-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2006-07-05 EP disclosed
WO-2005032548-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2005-04-14 WO disclosed
US-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-06-24 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 (10 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-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF ALDH1A1 1216/4885MAPT 3948/4885MEN1 1815/4885
US-20100160320-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885MAPT 4107/4885MEN1 2647/4885
US-10660897-B2 C5aR antagonists C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885MAPT 4107/4885MEN1 2647/4885
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF ALDH1A1 1216/4885MAPT 3948/4885MEN1 1815/4885
US-10905684-B2 Aminoamide compounds DNPEP, BCAT2, AADAT ALDH1A1 3250/4885MAPT 567/4885MEN1 1010/4885
US-20230102258-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885MAPT 4107/4885MEN1 2647/4885
US-20100311753-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885MAPT 4107/4885MEN1 2647/4885
US-20130172347-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885MAPT 4107/4885MEN1 2647/4885
US-11400084-B2 Aminoamide compounds DNPEP, BCAT2, AADAT ALDH1A1 3250/4885MAPT 567/4885MEN1 1010/4885
US-20210145812-A1 AMINOAMIDE COMPOUNDS DNPEP, BCAT2, AADAT ALDH1A1 3250/4885MAPT 567/4885MEN1 1010/4885

“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.