SCHEMBL5854793

SCHEMBL5854793

[NH]CC(F)(F)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
AHR P35869 1/20 0.41
MAPT P10636 1/20 0.41
CHRM2 P08172 1/20 0.38
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
METAP1 P53582 1/20 0.36
BLM P54132 1/20 0.36
HIF1A Q16665 1/20 0.36
DOHH Q9BU89 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL7742363 0.81 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRMAPTCHRM2
SCHEMBL16234253 0.79 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1AHRMAPTCHRM2
SCHEMBL29896219 0.79 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1AHRMAPTCHRM2
SCHEMBL2466203 0.79 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1AHRMAPTCHRM2
SCHEMBL1872051 0.79 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1AHRMAPTCHRM2
SCHEMBL221865 0.79 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1AHRMAPTCHRM2
SCHEMBL28323893 0.78 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1AHRMAPTCHRM2
SCHEMBL17189971 0.76 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1AHRCHRM2KDM4E
SCHEMBL9969506 0.76 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1AHRCHRM2BLM
SCHEMBL5041519 0.75 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1AHRKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7026324-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-04-11 US disclosed
US-20040097730-A1 Thrombin inhibitors MERCK & CO., INC. 2004-05-20 US disclosed
EP-1359913-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2003-11-12 EP disclosed
WO-2002064140-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 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-20040097730-A1 Thrombin inhibitors F3, F2, SERPINC1 SMN1; SMN2 4322/4885L3MBTL1 1262/4885AHR 3009/4885

“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.