SCHEMBL830446

SCHEMBL830446

Clc1ccc2[nH]ccc2c1Cl

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 9/20 0.50
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
DRD2 P14416 1/20 0.41
AHR P35869 2/20 0.40
F7 P08709 1/20 0.40
LTA4H P09960 1/20 0.40
F3 P13726 1/20 0.40
NR4A2 P43354 1/20 0.40
PARP1 P09874 1/20 0.38
CYP2A6 P11509 1/20 0.38
P2RX7 Q99572 1/20 0.38
AXL P30530 1/20 0.38
PRKCI P41743 1/20 0.38

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
SCHEMBL31416308 1.00 RHEB (0.50) RHEBDRD4DRD3SIRT2DRD2
Acetic Acid SCHEMBL27942674 0.87 RHEB (0.45) RHEBSIRT2P2RX7
Ethoxycarbonyl Group SCHEMBL27479240 0.79 RHEB (0.39) RHEBDRD4DRD3SIRT2DRD2
SCHEMBL7448671 0.77 RHEB (0.47) RHEBDRD4DRD3DRD2AHR
SCHEMBL1065531 0.77 AHR (0.52) RHEBAHRF7LTA4HF3
SCHEMBL25252534 0.77 RHEB (0.47) RHEBDRD4DRD3DRD2AHR
SCHEMBL2503153 0.77 RHEB (0.40) RHEBAHRF7LTA4HF3
SCHEMBL8528766 0.77 RHEB (0.40) RHEBAHRF7LTA4HF3
SCHEMBL30774212 0.77 RHEB (0.47) RHEBDRD4DRD3DRD2AHR
SCHEMBL28906650 0.77 RHEB (0.40) RHEBAHRF7LTA4HF3

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3596089-B1 ANTIBACTERIAL COMPOUNDS UNIV NOTTINGHAM (GB) 2023-12-06 EP disclosed
US-11192888-B2 Antibacterial compounds THE UNIVERSITY OF NOTTINGHAM (GB) 2021-12-07 US disclosed
US-20200199118-A1 ANTIBACTERIAL COMPOUNDS THE UNIVERSITY OF NOTTINGHAM (GB) 2020-06-25 US disclosed
WO-2020061470-A1 NOVEL QUINAZOLINE EGFR INHIBITORS SPECTRUM PHARMACEUTICALS, INC. (US) 2020-03-26 WO disclosed
WO-2018167506-A1 ANTIBACTERIAL COMPOUNDS THE UNIVERSITY OF NOTTINGHAM (GB) 2018-09-20 WO disclosed
EP-2197842-B1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORP (US) 2012-05-23 EP disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
EP-2197842-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-06-23 EP disclosed
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO disclosed
US-5834494-A SEROTONIN 5HT2B/2C RECEPTOR ANTAGONISTS; CNS NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; IRRITABLE BOWEL SYNDROME SMITHKLINE BEECHAM P.L.C. (GB) 1998-11-10 US disclosed
EP-0707581-B1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-26 EP disclosed
CN-1129937-A Indoline derivatives as 5HT2C antagonists SMITHKLINE BEECHAM PLC (GB) 1996-08-28 CN disclosed
EP-0707581-A1 INDOLINE DERIVATIVES AS 5HT 2C? ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-04-24 EP disclosed
WO-1995001976-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-01-19 WO disclosed
US-4101583-A Alpha-methylthio-alpha-(2-aminophenyl) acetaldehyde diloweralkyl acetals THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1978-07-18 US disclosed
US-4080341-A Carbazolenine and indole compounds THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1978-03-21 US disclosed
US-4067875-A Certain N-phenyl or N-pyridyl aza sulfonium salts THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1978-01-10 US disclosed
US-3992392-A Synthesis of indoles from anilines and intermediates therein THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1976-11-16 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 (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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 RHEB 2655/4885DRD4 499/4885DRD3 382/4885
US-11192888-B2 Antibacterial compounds CFTR, CLPP, MRPL21 RHEB 2107/4885DRD4 1043/4885DRD3 2018/4885
US-20200199118-A1 ANTIBACTERIAL COMPOUNDS CFTR, CLPP, MRPL21 RHEB 2107/4885DRD4 1043/4885DRD3 2018/4885

“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.