Sugi Predict

Sugi Predict / Compounds / SCHEMBL568682

SCHEMBL568682

SCHEMBL568682

CCC(=O)c1cc(Br)ccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.61
▸ KDM4E B2RXH2 4/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ NPC1 O15118 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 4/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ GRM5 P41594 1/20 0.38
▸ EGFR P00533 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ AGTR1 P30556 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ KDM6B O15054 1/20 0.36
▸ TET3 O43151 1/20 0.36
▸ KDM4A O75164 1/20 0.36
▸ BBOX1 O75936 1/20 0.36

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
SCHEMBL29488831 1.00 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2NPC1MEN1
SCHEMBL22026487 0.83 KDM4E (0.63) ALDH1A1KDM4ESMN1; SMN2NPC1MEN1
SCHEMBL30001187 0.81 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2NPC1MEN1
SCHEMBL15494842 0.81 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2NPC1MEN1
SCHEMBL20746212 0.81 SMN1; SMN2 (0.56) ALDH1A1KDM4ESMN1; SMN2NPC1MEN1
SCHEMBL30260118 0.80 KDM4E (0.51) ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL31680913 0.79 HSP90AB1 (0.47) ALDH1A1KDM4ESMN1; SMN2NPC1MEN1
SCHEMBL30885027 0.79 UHRF1 (0.43) ALDH1A1KDM4ESMN1; SMN2NPC1MEN1
SCHEMBL2643034 0.79 UHRF1 (0.43) ALDH1A1KDM4ESMN1; SMN2NPC1MEN1
SCHEMBL2642930 0.79 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2NPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12331046-B2 CTPS1 inhibitors and uses thereof NIMBUS CLOTHO, INC. (US) 2025-06-17 — — US disclosed
CN-116601131-A CTPS1 inhibitor and application thereof 林伯士克洛索有限公司 2023-08-15 — — CN disclosed
US-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2023-03-09 — — US disclosed
WO-2022087634-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS CLOTHO, INC. (US) 2022-04-28 — — WO disclosed
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 — — EP disclosed
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 — — EP disclosed
US-8927550-B2 Heterocyclic compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 — — US disclosed
US-8927550-B2 Heterocyclic compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 — — US disclosed
US-8927550-B2 Heterocyclic compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 — — US disclosed
EP-2493875-B1 HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 — — EP disclosed
US-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 — — US disclosed
US-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 — — US disclosed
US-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 — — US disclosed
US-7879873-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 — — US disclosed
US-7879873-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 — — US disclosed
US-7879873-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 — — US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 — — US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 — — US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 — — US disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 — — WO 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 (4 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-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 ALDH1A1 523/4885KDM4E 2535/4885SMN1; SMN2 1172/4885
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 ALDH1A1 523/4885KDM4E 2535/4885SMN1; SMN2 1172/4885
US-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF CTPS1, CTPS2, ECHS1 ALDH1A1 1472/4885KDM4E 3325/4885SMN1; SMN2 3045/4885
US-12331046-B2 CTPS1 inhibitors and uses thereof CTPS1, CTPS2, ECHS1 ALDH1A1 1472/4885KDM4E 3325/4885SMN1; SMN2 3045/4885

“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.