SCHEMBL7010866

SCHEMBL7010866

O=[N+]([O-])CC(c1ccccc1)c1c[nH]c2ccccc12

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.82
KMT2A Q03164 3/20 0.82
POLB P06746 2/20 0.82
MAPT P10636 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
MGAM O43451 3/20 0.57
GAA P10253 3/20 0.57
SI P14410 3/20 0.57
MGAM2 Q2M2H8 3/20 0.57
CNR1 P21554 8/20 0.56
CNR2 P34972 1/20 0.56
CYP2D6 P10635 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55
KCNH2 Q12809 1/20 0.55
GPR84 Q9NQS5 2/20 0.54
NPC1 O15118 1/20 0.52
FFAR1 O14842 1/20 0.51
SRC P12931 1/20 0.48

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
SCHEMBL7012422 0.91 MEN1 (0.77) MEN1KMT2APOLBMAPTNPSR1
SCHEMBL31026318 0.91 MEN1 (0.77) MEN1KMT2APOLBMAPTNPSR1
SCHEMBL31026323 0.91 MEN1 (0.77) MEN1KMT2APOLBMAPTNPSR1
SCHEMBL31026312 0.87 KMT2A (0.65) MEN1KMT2APOLBMAPTNPSR1
SCHEMBL7014720 0.87 MEN1 (0.76) MEN1KMT2APOLBMAPTNPSR1
SCHEMBL7011766 0.87 KMT2A (0.72) MEN1KMT2APOLBMAPTNPSR1
SCHEMBL31026314 0.83 MAPT (0.70) MEN1KMT2APOLBMAPTNPSR1
SCHEMBL9484344 0.83 MEN1 (0.63) MEN1KMT2APOLBMAPTNPSR1
SCHEMBL17645107 0.82 MEN1 (0.58) MEN1KMT2APOLBMAPTNPSR1
SCHEMBL17645108 0.82 MEN1 (0.58) MEN1KMT2APOLBMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377711-B2 Cannabinoid type 1 receptor modulators THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2019-08-13 US disclosed
US-10246414-B2 Allosteric modulators of CB1 cannabinoid receptors NORTHEASTERN UNIVERSITY (US) 2019-04-02 US disclosed
EP-2800569-B1 ALLOSTERIC MODULATORS OF CB1 CANNABINOID RECEPTORS UNIV NORTHEASTERN (US) 2018-07-25 EP disclosed
US-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2018-05-03 US disclosed
US-20170197918-A1 Allosteric Modulators of CB1 Cannabinoid Receptors NORTHEASTERN UNIVERSITY 2017-07-13 US disclosed
US-20170197918-A1 Allosteric Modulators of CB1 Cannabinoid Receptors NORTHEASTERN UNIVERSITY 2017-07-13 US disclosed
US-20170197918-A1 Allosteric Modulators of CB1 Cannabinoid Receptors NORTHEASTERN UNIVERSITY 2017-07-13 US disclosed
US-9556118-B2 Allosteric modulators of CB1 cannabinoid receptors NORTHEASTERN UNIVERSITY (US) 2017-01-31 US disclosed
US-9556118-B2 Allosteric modulators of CB1 cannabinoid receptors NORTHEASTERN UNIVERSITY (US) 2017-01-31 US disclosed
US-9556118-B2 Allosteric modulators of CB1 cannabinoid receptors NORTHEASTERN UNIVERSITY (US) 2017-01-31 US disclosed
CN-101962366-A Diphenyl thioether linked bis-imidazoline ligand compound and preparation method thereof BEIJING INST TECHNOLOGY 2011-02-02 CN disclosed
US-20100189648-A1 INHIBITORS FOR DISRUPTING THE INTERACTION OF UBIQUITINATION RELATED ENZYMES AND USES THEREOF HUANG LAN 2010-07-29 US disclosed
US-20100189648-A1 INHIBITORS FOR DISRUPTING THE INTERACTION OF UBIQUITINATION RELATED ENZYMES AND USES THEREOF HUANG LAN 2010-07-29 US disclosed
CN-101768118-A Bi-imidazoline diphenylamine compound and preparation method thereof UNIV BEIJING 2010-07-07 CN disclosed
CN-101585834-A Preparation and use of aromatic heterocyclic methylene BOZ UNIV CHINA AGRICULTURAL (CN) 2009-11-25 CN disclosed
WO-2008052441-A1 INHIBITORS FOR DISRUPTING THE INTERACTION OF UBIQUITINATION RELATED ENZYMES AND USES THEREOF HUANG LAN (US) 2008-05-08 WO disclosed
EP-0923581-B1 4-SUBSTITUTED BETA-CARBOLINES AS IMMUNOMODULATORS BOEHRINGER INGELHEIM PHARMA (US) 2003-05-21 EP disclosed
US-6093723-A AN IMMUNOMODULATOR FOR TREATING AND PREVENTING IMMUNE DISORDERS, INCLUDING AUTOIMMUNE DISEASE, INFLAMMATORY DISEASE, ORGAN TRANSPLANT REJECTION AND OTHER DISORDERS ASSOCIATED WITH IL-2 MEDIATED IMMUNE RESPONSE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-07-25 US disclosed
EP-0923581-A1 4-SUBSTITUTED BETA-CARBOLINES AS IMMUNOMODULATORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1999-06-23 EP disclosed
WO-1998006719-A1 4-SUBSTITUTED BETA-CARBOLINES AS IMMUNOMODULATORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1998-02-19 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 (5 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-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS CNR1, CNR2, GPR18 MEN1 3818/4885KMT2A 3294/4885POLB 4442/4885
US-10246414-B2 Allosteric modulators of CB1 cannabinoid receptors CNR1, CNR2, GPR18 MEN1 4653/4885KMT2A 2580/4885POLB 4481/4885
US-10377711-B2 Cannabinoid type 1 receptor modulators CNR1, CNR2, GPR18 MEN1 3818/4885KMT2A 3294/4885POLB 4442/4885
US-20100189648-A1 INHIBITORS FOR DISRUPTING THE INTERACTION OF UBIQUITINATION RELATED ENZYMES AND USES THEREOF MDM2, UBE2N, UBE2E1 MEN1 3921/4885KMT2A 795/4885POLB 2133/4885
US-20170197918-A1 Allosteric Modulators of CB1 Cannabinoid Receptors CNR1, CNR2, GPR18 MEN1 4653/4885KMT2A 2580/4885POLB 4481/4885

“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.