SCHEMBL1229929

SCHEMBL1229929

Fc1cc(Br)c(C2OCCCO2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.38
KDM1B Q8NB78 4/20 0.38
KCNH2 Q12809 2/20 0.38
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
DPP4 P27487 4/20 0.31
ALDH1A1 P00352 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL1813477 0.92 KDM1A (0.40) KDM1AKDM1BKCNH2CHRNB2CHRNB4
SCHEMBL25593106 0.78 KDM1A (0.33) KDM1AKDM1BKCNH2
SCHEMBL20263723 0.77 NPC1 (0.32)
SCHEMBL1229319 0.77 CYP11B1 (0.30) CYP11B1CYP11B2
SCHEMBL26122002 0.74 HTR2C (0.37) KDM1AALDH1A1
SCHEMBL4274254 0.73 ALDH1A1 (0.43) KDM1AKDM1BCYP11B1CYP11B2DPP4
SCHEMBL21408540 0.71 KDM1A (0.43) KDM1AKDM1BKCNH2
SCHEMBL1662324 0.70 KDM1A (0.50) KDM1AKDM1BKCNH2CYP11B1CYP11B2
SCHEMBL1765254 0.70 DYRK1A (0.34) ALDH1A1CHRNB2CHRNA4
SCHEMBL6616813 0.69 ALDH1A1 (0.39) ALDH1A1

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-20120190701-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-07-26 US disclosed
EP-2467385-A1 RENIN INHIBITORS Merck Canada Inc. (CA) 2012-06-27 EP disclosed
WO-2011020193-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-02-24 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-20120190701-A1 RENIN INHIBITORS REN, ACE, AGTR1 KDM1A 3480/4885KDM1B 3727/4885KCNH2 35/4885

“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.