SCHEMBL146278

SCHEMBL146278

Brc1ccc2c[c]ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 3/20 0.50
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ BACE1 P56817 2/20 0.36
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ AHR P35869 3/20 0.34
▸ NR4A2 P43354 1/20 0.34
▸ NCEH1 Q6PIU2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ NOS1 P29475 2/20 0.32

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
SCHEMBL209399 0.91 CYP2A6 (0.50) CYP2A6MAPTKDM4EMEN1ALDH1A1
SCHEMBL129202 0.77 — —
SCHEMBL192166 0.77 CYP2A6 (0.77) CYP2A6MAPTKDM4EMEN1ALDH1A1
SCHEMBL29353067 0.77 CYP2A6 (0.77) CYP2A6MAPTKDM4EMEN1ALDH1A1
SCHEMBL3300812 0.76 — —
SCHEMBL559813 0.75 — —
SCHEMBL70257 0.75 — —
SCHEMBL74680 0.73 ALDH1A1 (0.50) CYP2A6MAPTKDM4EMEN1ALDH1A1
SCHEMBL50089 0.73 CYP1A2 (0.50) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL645484 0.73 CYP1A2 (0.59) CYP2A6MAPTKDM4EALDH1A1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283683-A Method for synthesizing diaryl thioether amine compound by photoinduction catalysis 衡阳师范学院 2023-06-23 — — CN claimed
US-20210371398-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG A SOCIO HOLDINGS CO LTD (KR) 2021-12-02 — — US claimed
US-20190315716-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG-A ST CO., LTD. (KR) 2019-10-17 — — US claimed
EP-3523292-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS Dong-A Socio Holdings Co., Ltd. (KR) 2019-08-14 — — EP claimed
WO-2018071343-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2018-04-19 — — WO claimed
EP-2576543-B1 PYRAZOLE COMPOUNDS AS SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2016-12-21 — — EP claimed
US-9181195-B2 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2015-11-10 — — US claimed
EP-2718458-B1 NOVEL METHOD FOR DETECTION OF BETA-D-GLUCURONIDASE BIOSYNTH AG (CH) 2015-07-08 — — EP claimed
CN-101910409-B System for detecting microbial contamination TNO 2015-07-08 — — CN claimed
EP-2611774-B1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-03-18 — — EP claimed
EP-0507854-B1 METHODS FOR DIAGNOSING HUMAN INFLUENZA AND 4-POSITION MODIFIED CHROMOGENIC N-ACETYLNEURAMINIC ACID SUBSTRATES FOR USE THEREIN SYMEX CORP (US) 1996-11-27 — — EP claimed
US-5576323-A CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-11-19 — — US claimed
EP-0658539-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1995-06-21 — — EP claimed
EP-0507854-A4 METHODS FOR DIAGNOSTING HUMAN INFLUENZA AND 4-POSITION MODIFIED CHROMOGENIC N-ACETYLNEURAMINIC ACID SUBSTRATES FOR USE THEREIN — 1992-10-21 — — EP claimed
EP-0507854-A1 METHODS FOR DIAGNOSTING HUMAN INFLUENZA AND 4-POSITION MODIFIED CHROMOGENIC N-ACETYLNEURAMINIC ACID SUBSTRATES FOR USE THEREIN. SYMEX CORP (US) 1992-10-14 — — EP claimed
WO-1991010744-A1 CHROMOGENIC 9-POSITION MODIFIED N-ACETYLNEURAMINIC ACID SUBSTRATES AND METHODS FOR DIAGNOSING HUMAN INFLUENZA THEREWITH SYMEX CORP. (US) 1991-07-25 — — WO claimed
WO-1991009975-A1 CHROMOGENIC 7- OR 8-POSITION MODIFIED N-ACETYLNEURAMINIC ACID SUBSTRATES AND METHODS FOR DIAGNOSING HUMAN INFLUENZA THEREWITH SYMEX CORP. (US) 1991-07-11 — — WO claimed
WO-1991009972-A1 METHODS FOR DIAGNOSTING HUMAN INFLUENZA AND 4-POSITION MODIFIED CHROMOGENIC N-ACETYLNEURAMINIC ACID SUBSTRATES FOR USE THEREIN SYMEX CORP. (US) 1991-07-11 — — WO claimed
WO-1991009971-A1 CHROMOGENIC 5-POSITION MODIFIED NEURAMINIC ACID SUBSTRATES AND METHODS FOR DIAGNOSING HUMAN INFLUENZA THEREWITH SYMEX CORP. (US) 1991-07-11 — — WO claimed
US-4308202-A Prolylphenylalanylarginine derivatives, process for producing same and method for measuring activity of enzymes using same TORII & CO., LTD. (JP) 1981-12-29 — — US claimed

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-20190315716-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS MERTK, RET, ERBB4 CYP2A6 1638/4885MAPT 775/4885KDM4E 1403/4885
US-20210371398-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS MERTK, RET, ERBB2 CYP2A6 1320/4885MAPT 1125/4885KDM4E 1635/4885

“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.

Send feedback