SCHEMBL1104738

SCHEMBL1104738

CNC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.71
NR1H4 Q96RI1 1/20 0.71
HDAC1 Q13547 1/20 0.69
RAB9A P51151 5/20 0.65
HDAC8 Q9BY41 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
HDAC2 Q92769 1/20 0.61
POLB P06746 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.57
HPGD P15428 2/20 0.57
TSHR P16473 1/20 0.57
HTT P42858 1/20 0.57
MAPT P10636 2/20 0.56
HDAC3 O15379 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
PLK1 P53350 3/20 0.55
SRD5A2 P31213 1/20 0.55
NPC1 O15118 3/20 0.55
TRPV1 Q8NER1 1/20 0.55
LMNA P02545 1/20 0.53

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
SCHEMBL17806560 0.94 EPHX2 (0.65) EPHX2NR1H4HDAC1RAB9AHDAC8
SCHEMBL21628526 0.89 HPGD (0.79) EPHX2NR1H4HDAC1RAB9ASMN1; SMN2
SCHEMBL5690964 0.88 HDAC1 (0.72) EPHX2NR1H4HDAC1RAB9AHDAC8
SCHEMBL250247 0.85 HDAC6 (0.80) EPHX2NR1H4HDAC1HDAC8HDAC6
SCHEMBL30147565 0.84 HDAC2 (0.59) EPHX2NR1H4HDAC1RAB9AHDAC8
SCHEMBL14438185 0.84 POLB (0.81) HDAC1RAB9AHDAC8HDAC6HDAC2
SCHEMBL2627052 0.83 PLAU (0.58) EPHX2NR1H4HDAC1RAB9AHDAC8
SCHEMBL16513072 0.83 HDAC2 (0.57) EPHX2NR1H4HDAC1RAB9AHDAC8
SCHEMBL21120792 0.83 HDAC6 (0.57) EPHX2NR1H4HDAC1RAB9AHDAC8
SCHEMBL18758163 0.83 POLB (0.67) EPHX2NR1H4HDAC1RAB9AHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
US-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 US disclosed
US-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 US disclosed
EP-4219499-A1 A CLASS OF FUSED RING COMPOUNDS, AND PREPARATION AND USE THEREOF CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2023-08-02 EP disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 US disclosed
US-11702476-B2 Anti-EGFR combinations for treating tumors BIRDIE BIOPHARMACEUTICALS, INC. (KY) 2023-07-18 US disclosed
US-11702476-B2 Anti-EGFR combinations for treating tumors BIRDIE BIOPHARMACEUTICALS, INC. (KY) 2023-07-18 US disclosed
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same UNIVERSITY OF MIAMI (US) 2023-05-16 US disclosed
EP-1020426-A1 AMINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-07-19 EP disclosed
US-6015925-A TREATING MYCOSIS POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-01-18 US disclosed
US-RE34770-E 1-benzothiophene derivatives; side effect reduction KAKEN PHARMACEUTICAL CO., LTD. (JP) 1994-11-01 US disclosed
US-5334628-A Amine derivatives, processes for preparing the same and fungicides containing the same KAKEN PHARMACEUTICAL CO., LTD. (JP) 1994-08-02 US disclosed
US-5200423-A AMINE DERIVATIVES, PROCESSES FOR PREPARING THE SAME AND FUNGICIDES CONTAINING THE SAME KAKEN PHARMACEUTICAL CO., LTD. (JP) 1993-04-06 US disclosed
US-5106866-A Skin disorders KAKEN PHARMACEUTICAL CO., LTD. (JP) 1992-04-21 US disclosed
US-5021458-A Amine derivatives and fungicides containing the same KAKEN PHARMACEUTICAL CO., LTD. (JP) 1991-06-04 US disclosed
EP-0164697-B1 AMINE DERIVATIVES, PROCESSES FOR PREPARING THE SAME AND FUNGICIDES CONTAINING THE SAME Kaken Pharmaceutical Co., Ltd. (JP) 1990-11-07 EP disclosed
EP-0164697-A2 Amine derivatives, processes for preparing the same and fungicides containing the same Kaken Pharmaceutical Co., Ltd. (JP) 1985-12-18 EP disclosed
US-3959269-A TRANQUILIZERS, SEDATIVES SANDOZ, INC. (US) 1976-05-25 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 (6 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-11702476-B2 Anti-EGFR combinations for treating tumors EGFR, ERBB3, ERBB2 EPHX2 2712/4885NR1H4 262/4885HDAC1 1310/4885
US-20230382909-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 EPHX2 2142/4885NR1H4 159/4885HDAC1 42/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR EPHX2 3875/4885NR1H4 3000/4885HDAC1 392/4885
US-20230374008-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 EPHX2 2142/4885NR1H4 159/4885HDAC1 42/4885
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF F7, F11, HABP2 EPHX2 2224/4885NR1H4 3576/4885HDAC1 404/4885
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same NOTCH1, CHUK, CBFB EPHX2 3539/4885NR1H4 1982/4885HDAC1 213/4885

“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.