SCHEMBL2932255

SCHEMBL2932255

COc1cc(N)c2nccc(C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 3/20 0.49
CASP6 P55212 3/20 0.49
CCR1 P32246 3/20 0.46
CCR5 P51681 3/20 0.46
CCR8 P51685 3/20 0.46
RAD52 P43351 1/20 0.45
CASP7 P55210 1/20 0.45
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
G6PD P11413 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
DYRK1A Q13627 2/20 0.39
FYN P06241 1/20 0.38
NPY1R P25929 1/20 0.38
MAP3K14 Q99558 1/20 0.38
PSMD14 O00487 1/20 0.38
COPS5 Q92905 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
SCHEMBL2268452 0.86 NOS3 (0.47) NSD2CASP6CCR1CCR5CCR8
SCHEMBL2270856 0.82 HSP90AA1 (0.52) NSD2CASP6CCR1CCR5CCR8
SCHEMBL24916289 0.81 NSD2 (0.50) NSD2CASP6CCR1CCR5CCR8
SCHEMBL10290496 0.81 NSD2 (0.50) NSD2CASP6CCR1CCR5CCR8
SCHEMBL2265999 0.80 NSD2 (0.41) NSD2CASP6CCR1CCR5CCR8
SCHEMBL11545634 0.80 NSD2 (0.41) NSD2CASP6CCR1CCR5CCR8
SCHEMBL13819411 0.76 NSD2 (0.46) NSD2CASP6CCR1CCR5CCR8
SCHEMBL11545025 0.76 CCR1 (0.48) NSD2CASP6CCR1CCR5CCR8
SCHEMBL11544523 0.75 KDM4E (0.53) CASP7KDM4EALDH1A1MAPTKMT2A
SCHEMBL11067804 0.74 MEN1 (0.44) NSD2CASP6CCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9872849-B2 Diterpenoid membranolide compounds having anti-leishmania activity and uses thereof UNIVERSITY OF SOUTH FLORIDA (US) 2018-01-23 US claimed
US-20160030388-A1 DITERPENOID MEMBRANOLIDE COMPOUNDS HAVING ANTI-LEISHMANIA ACTIVITY AND USES THEREOF UNIVERSITY OF SOUTH FLORIDA (US) 2016-02-04 US claimed
US-9872849-B2 Diterpenoid membranolide compounds having anti-leishmania activity and uses thereof UNIVERSITY OF SOUTH FLORIDA (US) 2018-01-23 US disclosed
US-20160030388-A1 DITERPENOID MEMBRANOLIDE COMPOUNDS HAVING ANTI-LEISHMANIA ACTIVITY AND USES THEREOF UNIVERSITY OF SOUTH FLORIDA (US) 2016-02-04 US disclosed
US-9028562-B2 Dye composition using a 2-hydroxynaphthalene, (acylamino)phenol or quinoline coupler in a fatty-substance-rich medium, dyeing process and device therefor L'OREAL (FR) 2015-05-12 US disclosed
US-9028562-B2 Dye composition using a 2-hydroxynaphthalene, (acylamino)phenol or quinoline coupler in a fatty-substance-rich medium, dyeing process and device therefor L'OREAL (FR) 2015-05-12 US disclosed
US-8809368-B2 Compounds affecting gap junction activity KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2014-08-19 US disclosed
US-8809368-B2 Compounds affecting gap junction activity KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2014-08-19 US disclosed
US-20140041133-A1 DYE COMPOSITION USING A 2-HYDROXYNAPHTHALENE, (ACYLAMINO)PHENOL OR QUINOLINE COUPLER IN A FATTY-SUBSTANCE-RICH MEDIUM, DYEING PROCESS AND DEVICE THEREFOR L'OREAL (FR) 2014-02-13 US disclosed
US-20140041133-A1 DYE COMPOSITION USING A 2-HYDROXYNAPHTHALENE, (ACYLAMINO)PHENOL OR QUINOLINE COUPLER IN A FATTY-SUBSTANCE-RICH MEDIUM, DYEING PROCESS AND DEVICE THEREFOR L'OREAL (FR) 2014-02-13 US disclosed
EP-2081906-B1 SITAMAQUINE TOSYLATE FOR THE TREATMENT OF LEISHMANIASIS GLAXO GROUP LTD (GB) 2010-09-22 EP disclosed
US-6313126-B1 FOR THRERAPY OF DISORDERS ASSOCIATED WITH DYSFUNCTION IN SEROTONERGIC NEUROTRANSMISSION, INCLUDING DEPRESSION AND ANXIETY AMERICAN HOME PRODUCTS CORP 2001-11-06 US disclosed
EP-1147083-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-24 EP disclosed
WO-2000040554-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 WO disclosed
WO-1997006161-A1 ANTICOCCIDIAL 8-AMINOQUINOLINE DERIVATIVES PFIZER LIMITED (GB) 1997-02-20 WO disclosed
US-4659708-A Anti-leishmanial lepidine derivatives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1987-04-21 US disclosed
US-4302459-A Liposome carriers in leishmaniasis chemotherapy with 8-aminoquinoline derivatives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1981-11-24 US disclosed
US-4209519-A 4-METHYL-6-METHOXY-8-AMINOQUINONE DERIVATIVES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1980-06-24 US disclosed
US-4209519-A 4-METHYL-6-METHOXY-8-AMINOQUINONE DERIVATIVES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1980-06-24 US disclosed
US-4167638-A Process for production of 8-NHR quinolines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1979-09-11 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 (2 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-20160030388-A1 DITERPENOID MEMBRANOLIDE COMPOUNDS HAVING ANTI-LEISHMANIA ACTIVITY AND USES THEREOF LSS, GYPA, STING1 NSD2 3720/4885CASP6 747/4885CCR1 3962/4885
US-20140041133-A1 DYE COMPOSITION USING A 2-HYDROXYNAPHTHALENE, (ACYLAMINO)PHENOL OR QUINOLINE COUPLER IN A FATTY-SUBSTANCE-RICH MEDIUM, DYEING PROCESS AND DEVICE THEREFOR HADHB, HADH, FABP4 NSD2 754/4885CASP6 2343/4885CCR1 4606/4885

“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.