SCHEMBL17482004

SCHEMBL17482004

Cc1ccc2c(c1)c1cc(Cl)ccc1n2CCC#N

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.70
KDM4E B2RXH2 1/20 0.46
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
HTT P42858 2/20 0.40
PTGER4 P35408 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
CYP2C9 P11712 1/20 0.38
CHEK1 O14757 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
SCHEMBL17484539 0.91 RAB9A (0.55) RAB9AKDM4EHTTMEN1KMT2A
SCHEMBL16147498 0.91 RAB9A (0.72) RAB9AKDM4EPSEN1PSEN2APH1B
SCHEMBL11875980 0.84 KDM4E (0.61) RAB9AKDM4EPSEN1PSEN2APH1B
SCHEMBL7108173 0.77 RAB9A (0.55) RAB9AKDM4EHTTMEN1KMT2A
SCHEMBL24611600 0.76 BCHE (0.47) RAB9AKDM4EHTTPTGER4MEN1
SCHEMBL16156844 0.75 KDM4E (0.63) KDM4EMEN1KMT2ATP53MAPT
SCHEMBL17482044 0.73 TP53 (0.53) KDM4EPSEN1PSEN2APH1BNCSTN
SCHEMBL17482007 0.72 HDAC6 (0.54) KDM4EHTTMEN1KMT2ATP53
SCHEMBL1921824 0.72 PSEN1 (0.57) RAB9AKDM4EPSEN1PSEN2APH1B
SCHEMBL3322162 0.71 HDAC1 (0.56) RAB9A

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 2 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

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 RAB9A 1242/4885KDM4E 1102/4885PSEN1 276/4885

“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.