SCHEMBL2615404

SCHEMBL2615404

Cc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 7/20 0.80
▸ MAPT P10636 6/20 0.76
▸ MAPK1 P28482 6/20 0.76
▸ HTR1A P08908 6/20 0.76
▸ ADRA2A P08913 6/20 0.76
▸ DRD2 P14416 6/20 0.76
▸ ADRA2C P18825 6/20 0.76
▸ SLC6A2 P23975 6/20 0.76
▸ HTR2A P28223 6/20 0.76
▸ SLC6A4 P31645 6/20 0.76
▸ ADRA1A P35348 6/20 0.76
▸ HRH1 P35367 6/20 0.76
▸ DRD3 P35462 6/20 0.76
▸ SLC6A3 Q01959 6/20 0.76
▸ KCNH2 Q12809 6/20 0.76
▸ LMNA P02545 6/20 0.76
▸ CYP3A4 P08684 6/20 0.76
▸ DRD1 P21728 5/20 0.76
▸ TP53 P04637 5/20 0.76
▸ SMN1; SMN2 Q16637 5/20 0.76

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
SCHEMBL13400183 0.93 KDM1A (0.69) KDM1AMAPTMAPK1HTR1AADRA2A
SCHEMBL25513974 0.91 KDM1A (0.68) KDM1AMAPTMAPK1HTR1AADRA2A
SCHEMBL26002746 0.91 KDM1A (0.81) KDM1AMAPTMAPK1HTR1AADRA2A
SCHEMBL10136874 0.90 KDM1A (0.64) KDM1AMAPTMAPK1HTR1AADRA2A
SCHEMBL2615383 0.90 LMNA (0.75) KDM1AMAPTMAPK1HTR1AADRA2A
Perazine SCHEMBL29390464 0.89 KDM1A (1.00) KDM1AMAPTMAPK1HTR1AADRA2A
Perazine SCHEMBL147165 0.89 KDM1A (1.00) KDM1AMAPTMAPK1HTR1AADRA2A
SCHEMBL20425955 0.88 KDM1A (0.65) KDM1AMAPTMAPK1HTR1AADRA2A
SCHEMBL20425951 0.88 KDM1A (0.62) KDM1AMAPTMAPK1HTR1AADRA2A
SCHEMBL10136870 0.88 KDM1A (0.62) KDM1AMAPTMAPK1HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170105999-A1 METHOD FOR TREATING DRUG RESISTANT CANCER NAT YANG MING UNIV (TW) 2017-04-20 — — US disclosed
US-20140350081-A1 INSECT G-COUPLED RECEPTORS USEFUL AS TARGETS FOR INSECTICIDES AND COMPOUNDS AND REAGENTS IDENTIFIED USING THE SAME US ARMY, SECRETARY OF THE ARMY 2014-11-27 — — US disclosed
US-20140350081-A1 INSECT G-COUPLED RECEPTORS USEFUL AS TARGETS FOR INSECTICIDES AND COMPOUNDS AND REAGENTS IDENTIFIED USING THE SAME US ARMY, SECRETARY OF THE ARMY 2014-11-27 — — US disclosed
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 — — US disclosed
WO-2008021745-A2 HEPATITIS C VIRUS ENTRY INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2008-02-21 — — 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 (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-20140350081-A1 INSECT G-COUPLED RECEPTORS USEFUL AS TARGETS FOR INSECTICIDES AND COMPOUNDS AND REAGENTS IDENTIFIED USING THE SAME DDT, ADRA2C, MCHR1 KDM1A 3543/4885MAPT 1678/4885MAPK1 1063/4885
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS KDM1A 2949/4885MAPT 3107/4885MAPK1 4320/4885
US-20170105999-A1 METHOD FOR TREATING DRUG RESISTANT CANCER SLC11A2, ABCC1, FOLH1 KDM1A 2792/4885MAPT 4426/4885MAPK1 3790/4885

“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.

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