SCHEMBL5540367

SCHEMBL5540367

Cc1cccc2nc(O)ccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
CYP2A6 P11509 2/20 0.42
ALDH1A1 P00352 5/20 0.41
BACE1 P56817 1/20 0.41
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
NPFFR1 Q9GZQ6 1/20 0.39
NPFFR2 Q9Y5X5 1/20 0.39
ELANE P08246 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GPR3 P46089 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
PDE2A O00408 1/20 0.37

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
SCHEMBL3959059 0.98 CYP1A2 (0.42) CYP1A2CYP2A6ALDH1A1BACE1PDE3B
SCHEMBL826491 0.78 CYP1A2 (0.57) CYP1A2CYP2A6ALDH1A1BACE1PDE3B
SCHEMBL4615123 0.78 ACHE (0.48) CYP1A2ALDH1A1BACE1L3MBTL1HPGD
SCHEMBL29958192 0.76 HTR3A (0.34) CYP1A2ALDH1A1BACE1ELANEGPR3
SCHEMBL23674668 0.75 CYP1A2 (0.44) CYP1A2CYP2A6ALDH1A1BACE1PDE3B
SCHEMBL13049644 0.75 BACE1 (0.60) CYP1A2BACE1
SCHEMBL19044620 0.75 CYP1A2 (0.44) CYP1A2CYP2A6ALDH1A1BACE1PDE3B
SCHEMBL7219172 0.75 CYP1A2 (0.44) CYP1A2CYP2A6ALDH1A1BACE1PDE3B
SCHEMBL5540363 0.75 CYP1A2 (0.44) CYP1A2CYP2A6ALDH1A1BACE1PDE3B
SCHEMBL31756394 0.75 PDE7A (0.36) CYP1A2BACE1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102140078-A Improved scraup method for preparing quinoline or quinoline derivatives LI MOWEI 2011-08-03 CN claimed
CN-117986220-A Method for preparing substituted chromanone derivative 杭州杜易科技有限公司 2024-05-07 CN disclosed
CN-114222734-B Method for preparing substituted chromanone derivative 杭州杜易科技有限公司 2023-12-08 CN disclosed
CN-116199876-A Polyphenylene ether resin and process for producing the same 中化学科学技术研究有限公司 2023-06-02 CN disclosed
CN-114222734-A Method for preparing substituted chromanone derivative 杭州杜易科技有限公司 2022-03-22 CN disclosed
WO-2022008896-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS. GOLDING, LOUISE (GB) 2022-01-13 WO disclosed
CN-106009788-B Coating liquid for forming coating film, method for producing same, and method for producing substrate with coating film 日挥触媒化成株式会社 2020-06-16 CN disclosed
CN-106497400-B Coating liquid for forming coating film, method for producing coating liquid for forming coating film, and substrate with coating film 日挥触媒化成株式会社 2020-04-03 CN disclosed
CN-106497400-A Overlay film formation coating fluid, the manufacture method of overlay film formation coating fluid and the base material with overlay film 日挥触媒化成株式会社 2017-03-15 CN disclosed
CN-106009788-A COATING SOLUTION FOR FORMING FILM, METHOD FOR PRODUCING THE COATING SOLUTION AND METHOD FOR PRODUCING SUBSTRATE WITH FILM 日挥触媒化成株式会社 2016-10-12 CN disclosed
US-7507749-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2009-03-24 US disclosed
US-20090076073-A1 THERAPEUTIC AMIDES WAYNE STATE UNIVERSITY 2009-03-19 US disclosed
US-20090076073-A1 THERAPEUTIC AMIDES WAYNE STATE UNIVERSITY 2009-03-19 US disclosed
US-20070232643-A1 Quinoline derivative, e.g. 2[4-(7-chloroquinolin-2-yloxy)phenoxy]propionic acid sodium salt; anticarcinogenic, antitumor agent; colon, breast, melanoma, pancreatic cancer or adenocarcinoma; melanoma, or leukemia; based on herbicides WAYNE STATE UNIVERSITY 2007-10-04 US disclosed
US-20070232643-A1 Quinoline derivative, e.g. 2[4-(7-chloroquinolin-2-yloxy)phenoxy]propionic acid sodium salt; anticarcinogenic, antitumor agent; colon, breast, melanoma, pancreatic cancer or adenocarcinoma; melanoma, or leukemia; based on herbicides WAYNE STATE UNIVERSITY 2007-10-04 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-7241894-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2007-07-10 US disclosed
US-7241894-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2007-07-10 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (3 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CYP1A2 659/4885CYP2A6 1119/4885ALDH1A1 355/4885
US-20070232643-A1 Quinoline derivative, e.g. 2[4-(7-chloroquinolin-2-yloxy)phenoxy]propionic acid sodium salt; anticarcinogenic, antitumor agent; colon, breast, melanoma, pancreatic cancer or adenocarcinoma; melanoma, or leukemia; based on herbicides NRAS, KRAS, BRAF CYP1A2 1414/4885CYP2A6 1547/4885ALDH1A1 383/4885
US-20090076073-A1 THERAPEUTIC AMIDES HDAC5, HDAC6, ASAH2 CYP1A2 3511/4885CYP2A6 3372/4885ALDH1A1 1259/4885

“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.