SCHEMBL975122

SCHEMBL975122

CC(=O)Nc1[c]cc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CA12 O43570 1/20 0.50
BRD4 O60885 1/20 0.50
NR1I2 O75469 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MB P02144 1/20 0.50
CYP1A1 P04798 1/20 0.50
CA3 P07451 1/20 0.50
CYP3A4 P08684 1/20 0.50
RARG P13631 1/20 0.50
TSHR P16473 1/20 0.50
ALOX5AP P20292 1/20 0.50
CA4 P22748 1/20 0.50
CA7 P43166 1/20 0.50
NR1I3 Q14994 1/20 0.50
CA9 Q16790 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
SCHEMBL28970928 0.82 MAOA (0.35) ALDH1A1MAPTMEN1KMT2ACA12
SCHEMBL3891134 0.80 SMN1; SMN2 (0.38) ALDH1A1MAPTMEN1KMT2ACA12
SCHEMBL17748324 0.80 TDP1 (0.50) ALDH1A1MAPTMEN1KMT2ACA12
SCHEMBL5645014 0.78 MEN1 (0.44) ALDH1A1MAPTMEN1KMT2ACA12
SCHEMBL11259370 0.78 PKM (0.42) ALDH1A1MAPTMEN1KMT2ACA12
SCHEMBL1637554 0.78 PTK2 (0.44) MAPTMEN1KMT2ANR1I2RAB9A
SCHEMBL17220427 0.76 NPC1 (0.43) ALDH1A1MAPTMEN1KMT2ACYP3A4
SCHEMBL16051259 0.74 HDAC1 (0.49) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL2748592 0.74 DYRK1A (0.44) ALDH1A1MAPTRAB9ALMNANPC1
SCHEMBL7405347 0.73 CYP1A2 (0.50) ALDH1A1MAPTMEN1KMT2ACYP3A4

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-117285427-A Preparation method of fluxapyroxad intermediate 3',4',5' -trifluoro biphenyl-2-amine 山东京博农化科技股份有限公司 2023-12-26 CN claimed
EP-1765816-B1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS GRUENENTHAL GMBH (DE) 2010-03-10 EP claimed
US-7300939-B2 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-11-27 US claimed
US-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-05-17 US claimed
EP-4382546-A1 POLY(UREA-URETHANE) POLYMER BASF SE (DE) 2024-06-12 EP disclosed
WO-2024105029-A1 RECYCLABLE POLY(UREA-URETHANE) POLYMER AND COMPOSITE WITH DYNAMIC HINDERED UREA BONDS (HUBS) BASF SE (DE) 2024-05-23 WO disclosed
WO-2024105027-A1 CLOSED LOOP RECYCLING CONCEPT FOR COMPOSITES COMPRISING COVALENT ADAPTABLE POLY(UREA-URETHANE) NETWORKS WITH DYNAMIC HINDERED UREA BONDS BASF SE (DE) 2024-05-23 WO disclosed
EP-4305085-A1 POLYUREA COPOLYMER BASF SE (DE) 2024-01-17 EP disclosed
CN-117285427-A Preparation method of fluxapyroxad intermediate 3',4',5' -trifluoro biphenyl-2-amine 山东京博农化科技股份有限公司 2023-12-26 CN disclosed
CN-116964122-A Polyurea copolymers 巴斯夫欧洲公司 2023-10-27 CN disclosed
US-20230092952-A1 POLYUREA COPOLYMER BASF SE (DE) 2023-03-23 US disclosed
US-20230062261-A1 POLYUREA COPOLYMER BASF SE (DE) 2023-03-02 US disclosed
US-7300939-B2 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-11-27 US disclosed
US-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-05-17 US disclosed
EP-0540854-B1 Preparation for promoting hair growth SANSHO SEIYAKU KK (JP) 1998-01-21 EP disclosed
US-5656264-A ADMINISTERING TO THE SCALP OF THE MALE A PREPERATION CONSITING OF 6-BENZYLAMINOPURINE SANSYO SEIYAKU CO., LTD. (JP) 1997-08-12 US disclosed
EP-0637308-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY MERCK SHARP & DOHME LTD. (GB) 1995-02-08 EP disclosed
WO-1993019063-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY MERCK SHARP & DOHME LIMITED (GB) 1993-09-30 WO disclosed
EP-0540854-A2 Preparation for promoting hair growth Sansho Seiyaku Co., Ltd. (JP) 1993-05-12 EP disclosed
US-4433152-A ANTIINFLAMMATORY AGENT, ANTIALLERGEN OR ANTICOAGULANT NIPPON CHEMIPHAR CO., LTD. (JP) 1984-02-21 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 (1 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-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRM5, GRIK5, GRM1 ALDH1A1 3746/4885MAPT 3334/4885MEN1 4228/4885

“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.