SCHEMBL478161

SCHEMBL478161

BrCc1ccc2snnc2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TP53 P04637 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MLLT1 Q03111 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
SCHEMBL24215171 0.84 PRMT3 (0.43) ALDH1A1MAPTNPC1RAB9APOLB
SCHEMBL763088 0.82 ALDH1A1 (0.48) THRBALDH1A1HPGDKDM4EMAPT
SCHEMBL3205606 0.82 HSD17B10 (0.50) THRBALDH1A1HPGDKDM4EMAPT
SCHEMBL16859020 0.79 THRB (0.44) THRBALDH1A1HPGDKDM4EMAPT
SCHEMBL11973936 0.79 ALDH1A1 (0.49) THRBALDH1A1HPGDKDM4EMAPT
SCHEMBL11955066 0.78 ALDH1A1 (0.44) THRBALDH1A1HPGDKDM4EMAPT
SCHEMBL9676880 0.72 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL11614170 0.71 MEN1 (0.54) THRBALDH1A1HPGDKDM4EMAPT
SCHEMBL22110820 0.71 THRB (0.46) THRBALDH1A1HPGDKDM4EMAPT
SCHEMBL14582771 0.70 THRB (0.42) THRBALDH1A1HPGDKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976027-B1 QUINOLINE DERIVATIVES AS FACTOR XI ACTIVATION INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-11-05 EP disclosed
US-12304899-B2 Factor XI activation inhibitors MERCK SHARP & DOHME LLC (US) 2025-05-20 US disclosed
US-20220235033-A1 FACTOR XI ACTIVATION INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-07-28 US disclosed
EP-3976027-A1 FACTOR XI ACTIVATION INHIBITORS Merck Sharp & Dohme Corp. (US) 2022-04-06 EP disclosed
WO-2020243049-A1 FACTOR XI ACTIVATION INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-12-03 WO disclosed
US-8569339-B2 Soluble guanylate cyclase activators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-29 US disclosed
US-8569339-B2 Soluble guanylate cyclase activators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-29 US disclosed
US-20130065918-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-14 US disclosed
US-20130065918-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-14 US disclosed
WO-2012122340-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-13 WO disclosed
US-8252935-B2 Piperidinyl and piperazinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-28 US disclosed
EP-2212287-B1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2012-02-01 EP disclosed
EP-2212287-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE Janssen Pharmaceutica, N.V. (BE) 2010-08-04 EP disclosed
WO-2009052126-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF γ-SECRETASE JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed
US-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 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 (4 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-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE BACE1, BACE2, PSEN1 THRB 1904/4885ALDH1A1 3212/4885HPGD 2332/4885
US-12304899-B2 Factor XI activation inhibitors F11, TFPI, F13B THRB 3061/4885ALDH1A1 2315/4885HPGD 957/4885
US-20130065918-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A1, GUCY1A2, GUCY1B1 THRB 789/4885ALDH1A1 1104/4885HPGD 608/4885
US-20220235033-A1 FACTOR XI ACTIVATION INHIBITORS F11, TFPI, F13B THRB 3061/4885ALDH1A1 2315/4885HPGD 957/4885

“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.