SCHEMBL13060133

SCHEMBL13060133

Cc1cccc(C)c1C(=O)N1CCCC(C(=O)Nc2cccc(N3CCCC3)c2)C1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ MAPT P10636 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ USP2 O75604 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ ALOX15 P16050 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ GAA P10253 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PTGDR2 Q9Y5Y4 2/20 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
SCHEMBL12176029 0.99 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AUSP2
SCHEMBL13060135 0.94 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AUSP2
SCHEMBL12176499 0.94 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AUSP2
SCHEMBL12176104 0.93 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AUSP2
SCHEMBL14959033 0.93 HSD17B10 (0.46) ALDH1A1MAPTMEN1KMT2AUSP2
SCHEMBL18532602 0.93 HSD17B10 (0.46) ALDH1A1MAPTMEN1KMT2AUSP2
SCHEMBL18790111 0.93 HSD17B10 (0.46) ALDH1A1MAPTMEN1KMT2AUSP2
SCHEMBL12176031 0.92 HSD17B10 (0.45) ALDH1A1MAPTMEN1KMT2AUSP2
SCHEMBL12176354 0.90 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2AUSP2
SCHEMBL12176305 0.90 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230102258-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2023-03-30 — — US disclosed
US-20170114017-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2017-04-27 — — US disclosed
US-9573897-B2 C5AR antagonists CHEMOCENTRYX, INC. (US) 2017-02-21 — — US disclosed
US-20160229802-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2016-08-11 — — US disclosed
US-9126939-B2 C5AR antagonists CHEMOCENTRYX, INC. 2015-09-08 — — US disclosed
US-20130172347-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2013-07-04 — — US disclosed
US-20100311753-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2010-12-09 — — 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 (5 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-20170114017-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885MAPT 4107/4885MEN1 2647/4885
US-20160229802-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885MAPT 4107/4885MEN1 2647/4885
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

“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.

Send feedback