SCHEMBL4196549

SCHEMBL4196549

COC(=O)c1cc([N+](=O)[O-])cc(C)c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT1 P17948 1/20 0.45
FGFR3 P22607 1/20 0.45
KDR P35968 1/20 0.45
POLB P06746 1/20 0.43
GPR35 Q9HC97 1/20 0.42
LMNA P02545 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 2/20 0.40
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 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
SCHEMBL31451989 0.86 ALDH1A1 (0.45) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL20298740 0.85 NPC1 (0.52) ALDH1A1POLBLMNAMAPTSMN1; SMN2
SCHEMBL13987139 0.84 ALDH1A1 (0.50) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL525661 0.84 PDGFRB (0.47) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL1448201 0.83 ALDH1A1 (0.43) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL22866318 0.83 ALDH1A1 (0.44) ALDH1A1POLBGPR35LMNATDP1
SCHEMBL2395918 0.83 ALDH1A1 (0.56) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL4054356 0.82 ALDH1A1 (0.47) ALDH1A1GPR35LMNATDP1CYP3A4
SCHEMBL24723054 0.81 PDGFRB (0.45) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL1335440 0.81 ALDH1A1 (0.44) ALDH1A1PDGFRBFGFR1PDGFRAFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4539855-A1 BORON CONTAINING PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF Borah, Inc. (US) 2025-04-23 EP disclosed
CN-119343143-A Boron-containing pyrimidine compounds, compositions containing them, methods and uses thereof 博拉公司 2025-01-21 CN disclosed
CN-114341145-B Chemical compound 博拉公司 2024-08-16 CN disclosed
US-20240132525-A1 BORON CONTAINING PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2024-04-25 US disclosed
WO-2023244775-A1 BORON CONTAINING PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF Boehringer Ingelheim Animal Health USA Inc. (US) 2023-12-21 WO disclosed
WO-2021003501-A1 CHEMICAL COMPOUNDS Boragen, Inc. (US) 2021-01-07 WO disclosed
US-20150361093-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2015-12-17 US disclosed
US-20150361093-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2015-12-17 US disclosed
EP-2952503-A1 HIV REPLICATION INHIBITOR Shionogi & Co., Ltd. (JP) 2015-12-09 EP disclosed
US-9199959-B2 HIV replication inhibitor SHIONOGI & CO., LTD. (JP) 2015-12-01 US disclosed
CN-1175247-A Steroid receptor modulator compounds and methods LIGAND PHARM INC (US) 1998-03-04 CN disclosed
US-5696130-A Tricyclic steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 US disclosed
US-5696133-A ADMINISTERING COMPOUND WHICH MODULATES ACTIVITY OF PROGESTERONE RECEPTOR LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 US disclosed
US-5696127-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 US disclosed
US-5693646-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-02 US disclosed
US-5693647-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-02 US disclosed
US-5688808-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-11-18 US disclosed
US-5688810-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-11-18 US disclosed
EP-0800519-A1 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 1997-10-15 EP disclosed
WO-1996019458-A2 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 1996-06-27 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 (2 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-20150361093-A1 HIV REPLICATION INHIBITOR RTF2, REV1, PCNA ALDH1A1 4109/4885PDGFRB 3703/4885FGFR1 4458/4885
US-20240132525-A1 BORON CONTAINING PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF JAK2, JAK1, JAK3 ALDH1A1 3629/4885PDGFRB 567/4885FGFR1 1308/4885

“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.