SCHEMBL152145

SCHEMBL152145

COCOc1cc(OC)ccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 1/20 0.44
BACE1 P56817 1/20 0.42
APLNR P35414 1/20 0.41
CYP3A4 P08684 4/20 0.40
CYP1A1 P04798 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP1B1 Q16678 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C19 P33261 3/20 0.39

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
SCHEMBL30926051 1.00 MAPT (0.47) MAPTCA12CA1CA2CA7
SCHEMBL6952285 0.98 MAPT (0.46) MAPTCA12CA1CA2CA7
SCHEMBL614591 0.91 PIK3CD (0.40) MAPTCA12CA1CA2CA7
SCHEMBL8702633 0.87 MAPT (0.54) MAPTCA12CA1CA2CA7
SCHEMBL2176515 0.85 FYN (0.45) MAPTCA12CA1CA2CA7
SCHEMBL30639283 0.85 FYN (0.45) MAPTCA12CA1CA2CA7
SCHEMBL983772 0.84 SLC6A4 (0.49) MAPTCA12CA1CA2CA7
SCHEMBL24993556 0.83 CA12 (0.47) MAPTCA12CA1CA2CA7
SCHEMBL31253956 0.83 PIK3CD (0.41) MAPTALDH1A1KDM4EBACE1PIK3CD
SCHEMBL3711912 0.82 SCD (0.39) MAPTALDH1A1KDM4ECYP1A2PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240335442-A1 N-ACYLHYDRAZONE COMPOUNDS CAPABLE OF INHIBITING NAV1.7 AND/OR NAV1.8, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS UNIVERSIDADE FEDERAL DO RIO DE JANEIRO – UFRJ (BR) 2024-10-10 US disclosed
EP-4382100-A1 N-ACYLHYDRAZONE COMPOUNDS CAPABLE OF INHIBITING NAV1.7 AND/OR NAV1.8, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS Eurofarma Laboratórios S.A. (BR) 2024-06-12 EP disclosed
CN-118076348-A N-acylhydrazone compounds capable of inhibiting NAV 1.7 and/or NAV 1.8, methods of making, compositions, uses, methods of treatment and kits using the same 欧罗法玛实验室股份公司 2024-05-24 CN disclosed
WO-2023010191-A1 N-ACYLHYDRAZONE COMPOUNDS CAPABLE OF INHIBITING NAV1.7 AND/OR NAV1.8, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS EUROFARMA LABORATÓRIOS S.A. (BR) 2023-02-09 WO disclosed
US-9732102-B2 System for controlling the reactivity of boronic acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-08-15 US disclosed
US-20170002026-A1 System for Controlling the Reactivity of Boronic Acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2017-01-05 US disclosed
US-9328127-B2 System for controlling the reactivity of boronic acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-05-03 US disclosed
EP-2181103-B1 SYSTEM FOR CONTROLLING THE REACTIVITY OF BORONIC ACIDS UNIV ILLINOIS (US) 2015-08-05 EP disclosed
US-20130296573-A1 System for Controlling the Reactivity of Boronic Acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-11-07 US disclosed
US-8318983-B2 System for controlling the reactivity of boronic acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-11-27 US disclosed
US-5817693-A Endothelin receptor antagonists SMITHKLINE BEECHAM CORPORATION 1998-10-06 US disclosed
EP-0854721-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-07-29 EP disclosed
US-5719183-A HYPOTENSIVE AGENTS; KIDNEY DISEASES; ANTIISCHEMIC AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-17 US disclosed
US-5719182-A TREATING HYPERTENSION, RENAL FAILURE, CEREBROVASCULAR DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1998-02-17 US disclosed
US-5716984-A INDANE AND INDENE DERIVATIVES; TREATMENT OF CARDIOVASCULAR DISORDERS, KIDNEY DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-10 US disclosed
US-5714479-A TREATMENT OF HYPERTENSION, ACUTE RENAL FAILURE, ANGINA PECTORIS, ARTERIOSCLEROSIS, ASTHMA, GASTRIC ULCER AND SIMILAR AILMENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-03 US disclosed
EP-0817782-A1 PHENYL DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-01-14 EP disclosed
WO-1997004781-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-02-13 WO disclosed
WO-1996030358-A1 PHENYL DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-10-03 WO disclosed
EP-0714897-A1 FUSED HETEROAROMATIC CYCLOPENTENE DERIVATIVE HAVING ENDOTHELIN-ANTAGONIST ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-06-05 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-20170002026-A1 System for Controlling the Reactivity of Boronic Acids ORC3, BRS3, OSBPL3 MAPT 2833/4885CA12 97/4885CA1 647/4885
US-20240335442-A1 N-ACYLHYDRAZONE COMPOUNDS CAPABLE OF INHIBITING NAV1.7 AND/OR NAV1.8, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS SCN1A, SCN7A, SCN8A MAPT 3908/4885CA12 2541/4885CA1 699/4885
US-20130296573-A1 System for Controlling the Reactivity of Boronic Acids ORC3, BRS3, OSBPL3 MAPT 2833/4885CA12 97/4885CA1 647/4885

“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.