SCHEMBL6676525

SCHEMBL6676525

N#CCCN1c2ccccc2Sc2ccc(Cl)cc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.64
ICAM1 P05362 1/20 0.64
ITGAL P20701 1/20 0.64
CYP2D6 P10635 5/20 0.61
CYP2C19 P33261 5/20 0.61
LMNA P02545 4/20 0.61
CYP1A2 P05177 4/20 0.61
HTR1A P08908 4/20 0.61
MAPT P10636 4/20 0.61
DRD2 P14416 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
TDP1 Q9NUW8 3/20 0.61
ABCB11 O95342 3/20 0.61
TP53 P04637 3/20 0.61
CYP3A4 P08684 3/20 0.61
ADRA2A P08913 3/20 0.61
ADRA2B P18089 3/20 0.61
ADRA2C P18825 3/20 0.61
NFKB1 P19838 3/20 0.61
SLC6A2 P23975 3/20 0.61

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
SCHEMBL4303059 0.92 ITGB2 (0.53) ITGB2ICAM1ITGALCYP2D6CYP2C19
SCHEMBL29382085 0.91 CYP2D6 (0.64) ITGB2ICAM1ITGALCYP2D6CYP2C19
SCHEMBL8368777 0.87 KDM1A (0.54) CYP2D6CYP2C19LMNACYP1A2HTR1A
SCHEMBL17482006 0.83 ITGB2 (0.47) ITGB2ICAM1ITGALCYP2D6CYP2C19
SCHEMBL30349623 0.82 ITGB2 (0.70) ITGB2ICAM1ITGALCYP2D6CYP2C19
SCHEMBL28997940 0.82 ITGB2 (0.70) ITGB2ICAM1ITGALCYP2D6CYP2C19
SCHEMBL7066913 0.82 CYP2D6 (0.70) ITGB2ICAM1ITGALCYP2D6CYP2C19
SCHEMBL14707051 0.81 ITGB2 (0.68) ITGB2ICAM1ITGALCYP2D6CYP2C19
SCHEMBL6637375 0.81 LMNA (0.74) ITGB2ICAM1ITGALCYP2D6CYP2C19
SCHEMBL14292499 0.81 ITGB2 (0.72) ITGB2ICAM1ITGALCYP2D6CYP2C19

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 6 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-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
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
WO-2004037192-A2 IDENTIFICATION OF ANTIMYCOBACTERIAL TARGETS AND THE INHIBITION THEREOF AS A TREATMENT FOR INFECTIOUS DISEASES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2004-05-06 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 (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.