SCHEMBL2536334

SCHEMBL2536334

O=[N+]([O-])/C=C/c1c[nH]c2cc(Br)ccc12

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.60
PIM3 Q86V86 2/20 0.42
TDO2 P48775 1/20 0.40
IDO1 P14902 1/20 0.40
IMPDH2 P12268 1/20 0.39
RXRA P19793 1/20 0.39
PIM1 P11309 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
VCP P55072 1/20 0.37

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
SCHEMBL2536336 1.00 CYP2A6 (0.60) CYP2A6PIM3TDO2IDO1IMPDH2
SCHEMBL10761570 0.88 KMT2A (0.48) CYP2A6PIM3IDO1PIM1MEN1
SCHEMBL10761564 0.88 KMT2A (0.48) CYP2A6PIM3IDO1PIM1MEN1
SCHEMBL765065 0.88 KMT2A (0.48) CYP2A6PIM3IDO1PIM1MEN1
SCHEMBL2538092 0.82 FBP1 (0.46) CYP2A6PIM3TDO2IDO1RXRA
SCHEMBL11912926 0.82 FBP1 (0.46) CYP2A6PIM3TDO2IDO1RXRA
SCHEMBL30685320 0.82 TDO2 (0.61) TDO2IDO1
SCHEMBL2538089 0.82 FBP1 (0.46) CYP2A6PIM3TDO2IDO1RXRA
SCHEMBL2537796 0.82 TDO2 (0.50) CYP2A6TDO2IDO1RXRA
SCHEMBL2272828 0.82 TDO2 (0.61) TDO2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-10-26 US disclosed
US-11613538-B2 Method of inhibiting or reducing a viral infection PTC THERAPEUTICS, INC. (US) 2023-03-28 US disclosed
EP-2434891-B9 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC THERAPEUTICS INC (US) 2021-05-05 EP disclosed
US-20200317668-A1 METHOD OF INHIBITING OR REDUCING A CORONAVIRIDAE VIRUS INFECTION PTC THERAPEUTICS, INC. 2020-10-08 US disclosed
EP-2434891-B1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC THERAPEUTICS INC (US) 2020-07-22 EP disclosed
US-20190194188-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC THERAPEUTICS, INC. 2019-06-27 US disclosed
US-20160340354-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC THERAPEUTICS, INC. 2016-11-24 US disclosed
US-20160340354-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC THERAPEUTICS, INC. 2016-11-24 US disclosed
US-9351964-B2 Methods for treating cancer and non-neoplastic conditions PTC THERAPEUTICS, INC. (US) 2016-05-31 US disclosed
US-9351964-B2 Methods for treating cancer and non-neoplastic conditions PTC THERAPEUTICS, INC. (US) 2016-05-31 US disclosed
US-8044090-B2 N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor ELI LILLY (US) 2011-10-25 US disclosed
WO-2010138758-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC THERAPEUTICS, INC. (US) 2010-12-02 WO disclosed
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR CHEN ZHAOGEN 2009-12-10 US disclosed
EP-1859798-A1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2007-11-28 EP disclosed
EP-1379239-B1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2007-09-12 EP disclosed
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR CHEN ZHAOGEN 2007-05-03 US disclosed
US-7157488-B2 N-(2-Arylethyl) benzylamines as antagonists of the 5-HT6 receptor ELI LILLY AND COMPANY (US) 2007-01-02 US disclosed
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor CHEN ZHAOGEN 2006-01-12 US disclosed
EP-1379239-A2 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2004-01-14 EP disclosed
WO-2002078693-A2 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2002-10-10 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 (8 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-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS NR1H2, NR1H3, NR1D1 CYP2A6 1550/4885PIM3 4635/4885TDO2 3571/4885
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor HTR6, HTR2C, HTR1B CYP2A6 202/4885PIM3 4679/4885TDO2 379/4885
US-20160340354-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS HDGF, POLRMT, VEGFA CYP2A6 4572/4885PIM3 3601/4885TDO2 4419/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B CYP2A6 202/4885PIM3 4679/4885TDO2 379/4885
US-20190194188-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS HDGF, POLRMT, VEGFA CYP2A6 4572/4885PIM3 3601/4885TDO2 4419/4885
US-20200317668-A1 METHOD OF INHIBITING OR REDUCING A CORONAVIRIDAE VIRUS INFECTION SARS1, POLRMT, EIF2AK2 CYP2A6 3019/4885PIM3 603/4885TDO2 2983/4885
US-11613538-B2 Method of inhibiting or reducing a viral infection SARS1, EIF2AK2, POLRMT CYP2A6 3692/4885PIM3 1092/4885TDO2 3131/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B CYP2A6 202/4885PIM3 4679/4885TDO2 379/4885

“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.