SCHEMBL323339

SCHEMBL323339

CON(C)C(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.57
ALDH1A1 P00352 2/20 0.55
NPSR1 Q6W5P4 1/20 0.54
MLYCD O95822 1/20 0.54
OPRM1 P35372 1/20 0.52
OPRL1 P41146 1/20 0.52
SRD5A2 P31213 1/20 0.49
MAOB P27338 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.48
P2RX1 P51575 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 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
SCHEMBL21652181 0.86 ACHE (0.53) ALDH1A1MLYCDMEN1KMT2ATP53
SCHEMBL3876454 0.83 CES2 (0.65) CES2ALDH1A1NPSR1OPRM1OPRL1
SCHEMBL20870672 0.83 CES2 (0.65) CES2ALDH1A1NPSR1OPRM1OPRL1
SCHEMBL3652937 0.83 MLYCD (0.55) CES2MLYCD
SCHEMBL15281239 0.83 KMT2A (0.50) CES2MLYCDMEN1KMT2ALMNA
SCHEMBL9100653 0.82 CES2 (0.62) CES2ALDH1A1NPSR1OPRM1OPRL1
SCHEMBL2653922 0.82 MLYCD (0.58) CES2MLYCDMAOBMEN1KMT2A
SCHEMBL19084700 0.81 HDAC8 (0.59) NPSR1MEN1KMT2APOLBLMNA
SCHEMBL25216553 0.81 CES2 (0.61) CES2ALDH1A1NPSR1OPRM1OPRL1
SCHEMBL1852354 0.80 MLYCD (0.73) CES2MLYCDSRD5A2MAOBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322753-A1 HETEROARYL DERIVATIVE, METHOD FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT VORONOI INC. (KR) 2023-10-12 US disclosed
US-20230322753-A1 HETEROARYL DERIVATIVE, METHOD FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT VORONOI INC. (KR) 2023-10-12 US disclosed
US-20230322753-A1 HETEROARYL DERIVATIVE, METHOD FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT VORONOI INC. (KR) 2023-10-12 US disclosed
EP-4215529-A1 HETEROARYL DERIVATIVE, METHOD FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Voronoibio Inc. (KR) 2023-07-26 EP disclosed
CN-116194111-A Heteroaryl derivatives, process for preparing the same, and pharmaceutical compositions containing the same as active ingredient 株式会社沃若诺伊生物 2023-05-30 CN disclosed
WO-2022060196-A1 HETEROARYL DERIVATIVE, METHOD FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT 보로노이바이오 주식회사 2022-03-24 WO disclosed
EP-2927218-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-07-04 EP disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
EP-0854870-A4 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 1999-01-07 EP disclosed
EP-0863757-A4 1998-09-16 EP disclosed
EP-0863757-A1 2-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 1998-09-16 EP disclosed
US-5792778-A TREATMENT OF CYTOKINE MEDIATED DISEASES MERCK & CO., INC. (US) 1998-08-11 US disclosed
EP-0854870-A1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY Merck & Co., Inc. (US) 1998-07-29 EP disclosed
US-5717100-A Substituted imidazoles having anti-cancer and cytokine inhibitory activity MERCK & CO., INC. (US) 1998-02-10 US disclosed
WO-1997047618-A1 SUBSTITUTED IMIDAZOLES HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO., INC. (US) 1997-12-18 WO disclosed
WO-1997012876-A9 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY 1997-09-18 WO disclosed
WO-1997012876-A1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO., INC. (US) 1997-04-10 WO disclosed
WO-1997005877-A1 2-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 1997-02-20 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 (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-20230322753-A1 HETEROARYL DERIVATIVE, METHOD FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT ERBB4, ERBB2, ERBB3 CES2 3749/4885ALDH1A1 2285/4885NPSR1 2334/4885

“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.