Sugi Predict

Sugi Predict / Compounds / SCHEMBL641404

SCHEMBL641404

SCHEMBL641404

NC(Cc1ccc(Cl)cc1)=NO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTBP2 P56545 1/20 0.53
▸ HTR3E A5X5Y0 1/20 0.47
▸ HTR3B O95264 1/20 0.47
▸ HTR3A P46098 1/20 0.47
▸ HTR3D Q70Z44 1/20 0.47
▸ HTR3C Q8WXA8 1/20 0.47
▸ TDP1 Q9NUW8 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HTT P42858 1/20 0.45
▸ TAAR1 Q96RJ0 2/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL14827527 1.00 CTBP2 (0.53) CTBP2HTR3EHTR3BHTR3AHTR3D
SCHEMBL641403 1.00 CTBP2 (0.53) CTBP2HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL11873636 0.98 CTBP2 (0.52) CTBP2HTR3EHTR3BHTR3AHTR3D
SCHEMBL836715 0.80 HTR3E (0.41) CTBP2HTR3EHTR3BHTR3AHTR3D
SCHEMBL838151 0.80 CA2 (0.56) CTBP2HTR3ATDP1ALDH1A1KMT2A
SCHEMBL12246860 0.80 HTR3E (0.41) CTBP2HTR3EHTR3BHTR3AHTR3D
SCHEMBL2540341 0.79 HTR3E (0.53) CTBP2HTR3EHTR3BHTR3AHTR3D
SCHEMBL4941032 0.79 HTR3E (0.53) CTBP2HTR3EHTR3BHTR3AHTR3D
SCHEMBL103072 0.78 CTBP2 (0.53) CTBP2TDP1ALDH1A1SMN1; SMN2TAAR1
SCHEMBL103073 0.78 CTBP2 (0.53) CTBP2TDP1ALDH1A1SMN1; SMN2TAAR1

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
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 — — EP disclosed
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 — — US disclosed
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 — — US disclosed
EP-2760856-B1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-09-14 — — EP disclosed
EP-2760856-A1 SELECTIVE NR2B ANTAGONISTS Bristol-Myers Squibb Company (US) 2014-08-06 — — EP disclosed
US-8722670-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 — — US disclosed
EP-1963289-B1 SUBSTITUTED OXADIAZOLE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2013-05-15 — — EP disclosed
US-20130085138-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — US disclosed
WO-2013049119-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — WO disclosed
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 — — US disclosed
US-6166020-A Aryl and heteroaryl alkoxynaphthalene derivatives PFIZER INC. (US) 2000-12-26 — — US disclosed
WO-2000039125-A1 PIPERIDINES AS CCR5 MODULATORS PFIZER LIMITED (GB) 2000-07-06 — — WO disclosed
US-5821245-A Use of naphthalene derivatives in treating lung carcinoma PFIZER INC. (US) 1998-10-13 — — US disclosed
EP-0795328-A1 Use of naphthalene derivatives in treating lung carcinoma PFIZER INC. (US) 1997-09-17 — — EP disclosed
EP-0773942-A1 4-INDOLE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1997-05-21 — — EP disclosed
EP-0767782-A1 ARYL AND HETEROARYL ALKOXYNAPHTHALENE DERIVATIVES PFIZER INC. (US) 1997-04-16 — — EP disclosed
WO-1996003400-A1 4-INDOLE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1996-02-08 — — WO disclosed
WO-1996000720-A1 ARYL AND HETEROARYL ALKOXYNAPHTHALENE DERIVATIVES PFIZER INC. (US) 1996-01-11 — — WO disclosed
US-4308399-A O-(3-Amino-2-hydroxy-propyl)-amidoxime derivatives, process for the preparation thereof and pharmaceutical compositions containing same CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1981-12-29 — — US disclosed
US-4187220-A New O-(3-amino-2-hydroxy-propyl)-amidoxime derivatives, process for the preparation thereof and pharmaceutical compositions containing same CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA R.T. (HU) 1980-02-05 — — 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-20130085138-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A CTBP2 1381/4885HTR3E 384/4885HTR3B 143/4885
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use HAMP, SERPINC1, PRSS8 CTBP2 3114/4885HTR3E 259/4885HTR3B 612/4885
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE HAMP, SERPINC1, PRSS8 CTBP2 3114/4885HTR3E 259/4885HTR3B 612/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 CTBP2 2378/4885HTR3E 1407/4885HTR3B 1112/4885

“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.