SCHEMBL621983

SCHEMBL621983

COc1ccc(C(=O)O)c([N+](=O)[O-])c1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.69
MAPT P10636 4/20 0.60
TDP1 Q9NUW8 2/20 0.60
L3MBTL1 Q9Y468 3/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
LMNA P02545 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CDK2 P24941 1/20 0.43
TSHR P16473 1/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
CDC25B P30305 1/20 0.42
TPMT P51580 1/20 0.42

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
SCHEMBL30105934 1.00 PKM (0.69) PKMMAPTTDP1L3MBTL1KDM4E
SCHEMBL7847617 0.90 PKM (0.65) PKMMAPTTDP1L3MBTL1KDM4E
SCHEMBL7829043 0.87 PKM (0.54) PKMMAPTTDP1L3MBTL1KDM4E
SCHEMBL27748861 0.87 TDP1 (0.62) PKMMAPTTDP1L3MBTL1KDM4E
SCHEMBL28431146 0.86 PKM (0.57) PKMMAPTTDP1L3MBTL1KDM4E
SCHEMBL27448977 0.85 MAPT (0.55) PKMMAPTTDP1L3MBTL1KDM4E
SCHEMBL8696566 0.85 PKM (0.56) PKMMAPTTDP1L3MBTL1KDM4E
SCHEMBL31029775 0.83 PKM (0.60) PKMMAPTTDP1L3MBTL1KDM4E
SCHEMBL8683506 0.83 PKM (0.56) PKMMAPTTDP1L3MBTL1KDM4E
SCHEMBL1447280 0.83 PKM (0.56) PKMMAPTTDP1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111302945-A Preparation method of 3-hydroxy-4-methoxy-2-nitrobenzoic acid 上海再启生物技术有限公司 2020-06-19 CN claimed
CN-101353328-B Preparation of 2-chlorin-4-amido-6,7-dimethoxy quinazoline CHONGQING WORLD HAORUI PHARM CHEM CO LTD 2010-12-15 CN claimed
CN-101353328-A Preparation of 2-chlorin-4-amido-6,7-dimethoxy quinazoline CHONGQING WORLD HAORUI PHARM C (CN) 2009-01-28 CN claimed
CN-1150948-A Preparation method of 6,7-dimethoxy-2,4-(1H,3H)-quinazoline diketon SHENYANG MEDICINE UNIV (CN) 1997-06-04 CN claimed
US-20240027902-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-25 US disclosed
US-20230359119-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-09 US disclosed
US-20230305394-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-28 US disclosed
US-20230305393-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-28 US disclosed
US-20230263155-A1 5-(1H-INDOL-3-YL)-OXAZOLE, -OXADIAZOLE AND -FURAN DERIVATIVES AS ENHANCERS OF SPERM MOTILITY SPERMATECH AS (NO) 2023-08-24 US disclosed
CN-115536696-B ENPP1 inhibitors 上海齐鲁制药研究中心有限公司 2023-07-14 CN disclosed
CN-111302945-B Preparation method of 3-hydroxy-4-methoxy-2-nitrobenzoic acid 上海再启生物技术有限公司 2023-06-13 CN disclosed
CN-115536696-A ENPP1 inhibitors 上海齐鲁制药研究中心有限公司 2022-12-30 CN disclosed
EP-0934276-A1 ANTHRANILIC ACID DERIVATIVES AS MULTI DRUG RESISTANCE MODULATORS XENOVA LIMITED (GB) 1999-08-11 EP disclosed
WO-1998017648-A1 ANTHRANILIC ACID DERIVATIVES AS MULTI DRUG RESISTANCE MODULATORS XENOVA LIMITED (GB) 1998-04-30 WO disclosed
CN-1150948-A Preparation method of 6,7-dimethoxy-2,4-(1H,3H)-quinazoline diketon SHENYANG MEDICINE UNIV (CN) 1997-06-04 CN disclosed
EP-0028473-B1 CHLORO- AND ALKOXY-SUBSTITUTED-2,4-DIAMINOQUINAZOLINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER INC. (US) 1985-01-09 EP disclosed
US-4377581-A ANTIHYPERTENSIVE AGENTS PFIZER INC. (US) 1983-03-22 US disclosed
US-4351940-A Chloro- and alkoxy-substituted-2-chloro-4-aminodquinazolines PFIZER INC. (US) 1982-09-28 US disclosed
US-4287341-A USEFUL AS ANTIHYPERTENSIVE AGENTS PFIZER INC. (US) 1981-09-01 US disclosed
EP-0028473-A1 Chloro- and alkoxy-substituted-2,4-diaminoquinazolines and pharmaceutical compositions containing them PFIZER INC. (US) 1981-05-13 EP 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-20230263155-A1 5-(1H-INDOL-3-YL)-OXAZOLE, -OXADIAZOLE AND -FURAN DERIVATIVES AS ENHANCERS OF SPERM MOTILITY NR5A1, NR1I3, NR5A2 PKM 3158/4885MAPT 4855/4885TDP1 2064/4885

“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.