SCHEMBL17482006

SCHEMBL17482006

Cc1ccc2c(c1)N(CCC#N)c1ccccc1S2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.47
ICAM1 P05362 1/20 0.47
ITGAL P20701 1/20 0.47
KDM1A O60341 4/20 0.47
CYP1A2 P05177 4/20 0.45
CYP2D6 P10635 4/20 0.45
HTR1A P08908 4/20 0.45
LMNA P02545 4/20 0.45
DRD2 P14416 3/20 0.45
CYP2C19 P33261 3/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CHRM2 P08172 3/20 0.45
ADRA2A P08913 3/20 0.45
CHRM1 P11229 3/20 0.45
DRD1 P21728 3/20 0.45
SLC6A2 P23975 3/20 0.45
SLC6A4 P31645 3/20 0.45
ADRA1A P35348 3/20 0.45
OPRM1 P35372 3/20 0.45

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
SCHEMBL8368777 0.87 KDM1A (0.54) KDM1ACYP1A2CYP2D6HTR1ALMNA
SCHEMBL6676525 0.83 ITGB2 (0.64) ITGB2ICAM1ITGALKDM1ACYP1A2
SCHEMBL31014048 0.83 KDM1A (0.62) ITGB2ICAM1ITGALKDM1ACYP1A2
SCHEMBL31014056 0.80 TP53 (0.63) CYP1A2CYP2D6HTR1ALMNADRD2
SCHEMBL24652675 0.80 KDM1A (0.59) KDM1ACYP1A2CYP2D6HTR1ALMNA
SCHEMBL1101998 0.79 KDM1A (0.49) ITGB2ICAM1ITGALKDM1ACYP1A2
SCHEMBL4303059 0.78 ITGB2 (0.53) ITGB2ICAM1ITGALKDM1ACYP1A2
SCHEMBL2615382 0.77 CYP2D6 (0.78) ITGB2ICAM1ITGALKDM1ACYP1A2
Hydrochloric Acid SCHEMBL29432850 0.76 LMNA (0.79) ITGB2ICAM1ITGALKDM1ACYP1A2
SCHEMBL29382085 0.75 CYP2D6 (0.64) ITGB2ICAM1ITGALKDM1ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9862684-B2 Modulation of K2P channels THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-01-09 US disclosed
US-20160031814-A1 MODULATION OF K2P CHANNELS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-04 US disclosed
US-20160031814-A1 MODULATION OF K2P CHANNELS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-04 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 (1 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-20160031814-A1 MODULATION OF K2P CHANNELS KCNJ2, KCNK2, KCNN3 ITGB2 2330/4885ICAM1 1755/4885ITGAL 2881/4885

“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.