SCHEMBL227169

SCHEMBL227169

O=Cc1ccc(OCc2ccccc2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.58
MAOB P27338 5/20 0.55
MAOA P21397 2/20 0.55
BCHE P06276 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGS2 P35354 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HIF1A Q16665 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4548433 0.84 NPC1 (0.58) MAOBMAPTRAB9ASMN1; SMN2
SCHEMBL30713056 0.84 LTA4H (0.51) P4HTMMAOBMAOAGAARAB9A
SCHEMBL755968 0.84 MAOB (0.56) MAOBMAOANR4A2L3MBTL1PARP10
SCHEMBL10841695 0.83 P4HTM (0.54) P4HTMMAOBMAOABCHELMNA
SCHEMBL13427738 0.83 P4HTM (0.58) P4HTMMAOBLMNACYP1A2PTGS1
SCHEMBL1562635 0.83 P4HTM (0.58) P4HTMMAOBLMNACYP1A2PTGS1
SCHEMBL6873030 0.82 MAOB (0.64) MAOBMAOANR4A2PARP10
SCHEMBL19065172 0.81 P4HTM (0.60) P4HTMMAOBLMNACYP1A2PTGS1
SCHEMBL28950003 0.81 P4HTM (0.60) P4HTMMAOBLMNACYP1A2PTGS1
SCHEMBL19065171 0.81 P4HTM (0.60) P4HTMMAOBLMNACYP1A2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12173018-B2 Penicillin-binding protein inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2024-12-24 US disclosed
CN-117285516-A Dehydrogenated phenyl achyranthis statin compound, preparation method and application thereof 大连万众益生大健康有限公司 2023-12-26 CN disclosed
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2021-07-01 US disclosed
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2021-07-01 US disclosed
EP-3802551-A1 PENICILLIN-BINDING PROTEIN INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2021-04-14 EP disclosed
US-20190010158-A1 ANTITUMOR EFFECT POTENTIATOR COMPRISING PYRROLOPYRIMIDINE COMPOUND TAIHO PHARMACETUICAL CO., LTD. (JP) 2019-01-10 US disclosed
US-10174040-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-01-08 US disclosed
EP-3395345-A1 ANTITUMOR EFFECT POTENTIATOR COMPRISING PYRROLOPYRIMIDINE COMPOUND Taiho Pharmaceutical Co., Ltd. (JP) 2018-10-31 EP disclosed
CN-108690053-A Heteroaryl compound and its application method 桑诺维恩药品公司 2018-10-23 CN disclosed
US-20180162864-A1 PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF AND COMPOSITIONS CONTAINING THE PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-06-14 US disclosed
EP-0313630-B1 SUBSTITUTED 2-ACYLPYRIDIN-ALPHA-(N)-HETARYLHYDRAZONES AND MEDICAMENTS CONTAINING SAME DEUTSCHES AUSSÄTZIGEN HILFSWERK E.V. (DE) 1992-09-16 EP disclosed
US-5084458-A Bactericides, malaria and antitumor agents SCHAPER KLAUS JUERGEN (DE) 1992-01-28 US disclosed
US-4997835-A Bactericides, malaria, antitumor SCHAPER KLAUS JUERGEN (DE) 1991-03-05 US disclosed
EP-0313630-A1 SUBSTITUTED 2-ACYLPYRIDIN-ALPHA-(N)-HETARYLHYDRAZONES AND MEDICAMENTS CONTAINING SAME. DEUTSCHES AUSSATZIGEN HILFSWER (DE) 1989-05-03 EP disclosed
US-4632992-A Intermediates for preparing pirbuterol and analogs PFIZER INC. (US) 1986-12-30 US disclosed
EP-0058069-B1 PROCESS AND INTERMEDIATES FOR PREPARING PIRBUTEROL AND ANALOGS PFIZER INC. (US) 1986-08-27 EP disclosed
US-4477671-A 3-Acetoxy or benzyloxy-2-acetoxymethyl-6-[1-acetoxy-2-(N-tert-butylacetamido)ethyl]pyridine intermediates PFIZER INC. (US) 1984-10-16 US disclosed
EP-0058070-A2 Process for preparing pirbuterol PFIZER INC. (US) 1982-08-18 EP disclosed
EP-0058069-A2 Process and intermediates for preparing pirbuterol and analogs PFIZER INC. (US) 1982-08-18 EP disclosed
US-3952101-A BETA ADRENERGIC STIMULANT SMITHKLINE CORPORATION (US) 1976-04-20 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 (5 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-20190010158-A1 ANTITUMOR EFFECT POTENTIATOR COMPRISING PYRROLOPYRIMIDINE COMPOUND MCL1, TP53, DPYD P4HTM 1791/4885MAOB 4806/4885MAOA 4808/4885
US-10174040-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof KRAS, DPYD, PSTPIP2 P4HTM 1239/4885MAOB 3852/4885MAOA 4264/4885
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL P4HTM 1045/4885MAOB 1769/4885MAOA 3287/4885
US-12173018-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL P4HTM 1045/4885MAOB 1769/4885MAOA 3287/4885
US-20180162864-A1 PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF AND COMPOSITIONS CONTAINING THE PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF KRAS, DPYD, PSTPIP2 P4HTM 1239/4885MAOB 3852/4885MAOA 4264/4885

“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.