Sugi Predict

Sugi Predict / Compounds / SCHEMBL4856112

SCHEMBL4856112

SCHEMBL4856112

NC(=O)[C@H]1C[C@H]1c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 1/20 0.66
▸ ALDH1A1 P00352 2/20 0.65
▸ HDAC4 P56524 1/20 0.61
▸ HPGD P15428 2/20 0.53
▸ FFAR1 O14842 1/20 0.51
▸ DEGS1 O15121 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ MAOA P21397 3/20 0.50
▸ MAOB P27338 3/20 0.50
▸ KDM1A O60341 3/20 0.50
▸ CYP2C19 P33261 3/20 0.50
▸ CYP2B6 P20813 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ NAMPT P43490 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50

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
SCHEMBL12836827 1.00 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4HPGDFFAR1
SCHEMBL4740282 1.00 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4HPGDFFAR1
SCHEMBL4130704 1.00 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4HPGDFFAR1
SCHEMBL871538 1.00 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4HPGDFFAR1
SCHEMBL5816055 1.00 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4HPGDFFAR1
SCHEMBL7050196 1.00 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4HPGDFFAR1
SCHEMBL1224903 1.00 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4HPGDFFAR1
Hydrochloric Acid SCHEMBL4380280 0.98 SLC9A1 (0.64) SLC9A1ALDH1A1HDAC4HPGDFFAR1
Hydrochloric Acid SCHEMBL6388776 0.98 SLC9A1 (0.64) SLC9A1ALDH1A1HDAC4HPGDFFAR1
Ammonia Solution, Strong SCHEMBL27604546 0.98 SLC9A1 (0.64) SLC9A1ALDH1A1HDAC4HPGDFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563085-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 — — CN claimed
EP-3490986-B1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-11-24 — — EP claimed
US-10752620-B2 Piperdine CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2020-08-25 — — US claimed
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2019-06-06 — — US claimed
EP-3490986-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2019-06-05 — — EP claimed
EP-2867226-B1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2018-11-14 — — EP claimed
WO-2018019929-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-02-01 — — WO claimed
EP-2627631-B1 PYRROLIDINONES AS METAP2 INHIBITORS MERCK PATENT GMBH (DE) 2015-12-16 — — EP claimed
US-20150141455-A1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2015-05-21 — — US claimed
EP-2867226-A2 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF Novartis AG (CH) 2015-05-06 — — EP claimed
WO-2014002051-A2 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2014-01-03 — — WO claimed
WO-2023202578-A1 GPCR REGULATOR AND USE THEREOF 北京昌平实验室 2023-10-26 — — WO disclosed
EP-3798217-B1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2023-02-22 — — EP disclosed
CN-109563085-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 — — CN disclosed
CN-110563717-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 — — CN disclosed
WO-2014002051-A2 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2014-01-03 — — WO disclosed
US-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 — — US disclosed
EP-1611121-B1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA SA (FR) 2007-08-08 — — EP disclosed
EP-1581505-B1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-08-01 — — EP disclosed
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-02-03 — — 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 (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-20150141455-A1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF C5, C3AR1, C9 SLC9A1 3874/4885ALDH1A1 2262/4885HDAC4 2994/4885
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them C5, ADRA2C, ADRA1A SLC9A1 3985/4885ALDH1A1 370/4885HDAC4 1607/4885
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 SLC9A1 759/4885ALDH1A1 428/4885HDAC4 2022/4885
US-10752620-B2 Piperdine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 SLC9A1 759/4885ALDH1A1 428/4885HDAC4 2022/4885

“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.