SCHEMBL7230611

SCHEMBL7230611

CNc1nc(C(F)(F)F)cs1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 1/20 0.48
FFAR2 O15552 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CCR4 P51679 3/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
AR P10275 1/20 0.38
GRM5 P41594 1/20 0.36
NTMT1 Q9BV86 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 1/20 0.36
HDAC4 P56524 1/20 0.35
MEF2D Q14814 1/20 0.35
TRPV1 Q8NER1 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
SCHEMBL2608446 0.81 CCR4 (0.58) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL25893600 0.79 NTMT1 (0.41) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL4045534 0.79 MEN1 (0.44) MEN1KMT2ALMNAFFAR2RAB9A
SCHEMBL25083766 0.79 LMNA (0.55) MEN1KMT2ALMNAFFAR2NPC1
SCHEMBL25883270 0.79 FFAR2 (0.46) MEN1KMT2ALMNAFFAR2CCR4
SCHEMBL24399511 0.76 SMN1; SMN2 (0.39) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL6239068 0.76 L3MBTL1 (0.56) MEN1KMT2ALMNAFFAR2NPC1
SCHEMBL7493305 0.74 KMT2A (0.51) MEN1KMT2ALMNAFFAR2NPC1
SCHEMBL17465578 0.73 NPC1 (0.63) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL13015672 0.73 TMIGD3 (0.56) MEN1KMT2ALMNAFFAR2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230346951-A1 MOLECULAR DEGRADERS OF EXTRACELLULAR PROTEINS YALE UNIVERSITY 2023-11-02 US disclosed
WO-2022155941-A1 CDK2 INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2022-07-28 WO disclosed
US-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-06-23 US disclosed
US-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-06-23 US disclosed
WO-2010018328-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2010-02-18 WO disclosed
US-7368479-B2 Alpha-sulfonylamino-acetonitriles SYNGENTA CROP PROTECTION, INC. (US) 2008-05-06 US disclosed
CN-1257886-C Dehydroamino acids compounds HOFFMANN LA ROCHE (CH) 2006-05-31 CN disclosed
CN-1398252-A dehydroamino acid compounds HOFFMANN LA ROCHE (CH) 2003-02-19 CN disclosed
US-6515124-B2 (Z)-2-((2-bromo-4-(((3-hydroxybenzyl)amino)carbonyl)benzoyl) -amino)pent-2-enoic acid, for example; useful for treating psoriasis HOFFMAN-LA ROCHE INC. 2003-02-04 US disclosed
EP-1261579-A1 DEHYDROAMINO ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2002-12-04 EP disclosed
WO-2001058853-A1 DEHYDROAMINO ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2001-08-16 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 (2 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-20230346951-A1 MOLECULAR DEGRADERS OF EXTRACELLULAR PROTEINS ASGR1, MSR1, LDLR MEN1 4199/4885KMT2A 4686/4885LMNA 2180/4885
US-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF C1R, TACR1, C1S MEN1 1088/4885KMT2A 2630/4885LMNA 2384/4885

“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.