SCHEMBL3866356

SCHEMBL3866356

C#CCNC(=O)Nc1ccc(C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.62
RAB9A P51151 4/20 0.54
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53
PTPN7 P35236 1/20 0.51
ALDH1A1 P00352 3/20 0.51
CNR1 P21554 1/20 0.51
CASR P41180 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.49
CA12 O43570 1/20 0.48

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
SCHEMBL3866414 0.84 EPHX1 (0.57) NPC1RAB9APOLBSMN1; SMN2MEN1
SCHEMBL7747186 0.84 NPC1 (0.64) NPC1RAB9APOLBSMN1; SMN2MEN1
SCHEMBL16364130 0.81 HDAC3 (0.56) NPC1RAB9ASMN1; SMN2MEN1TP53
SCHEMBL24894195 0.81 ALDH1A1 (0.58) NPC1RAB9APOLBSMN1; SMN2MEN1
SCHEMBL19252045 0.80 MEN1 (0.66) RAB9AMEN1KMT2ACNR1MAPT
SCHEMBL18897610 0.80 RAB9A (0.46) NPC1RAB9ASMN1; SMN2MEN1HPGD
SCHEMBL3865302 0.80 NPC1 (0.62) NPC1RAB9ASMN1; SMN2MEN1HPGD
SCHEMBL5851707 0.79 NPC1 (0.68) NPC1RAB9APOLBSMN1; SMN2MEN1
SCHEMBL23135816 0.79 MAPT (0.51) NPC1RAB9APOLBSMN1; SMN2MEN1
SCHEMBL1275920 0.78 ALDH1A1 (0.70) NPC1RAB9APOLBSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115745982-B Oxadiazole compound and preparation method and application thereof 中国药科大学 2024-09-17 CN disclosed
CN-115745982-A Oxadiazole compound and preparation method and application thereof 中国药科大学 2023-03-07 CN disclosed
EP-2019102-A1 Alkylacetylene substituted Acyltryptophanols Bayer Schering Pharma AG (DE) 2009-01-28 EP disclosed
US-20090005373-A1 SUBSTITUTED SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-01 US disclosed
US-20090005373-A1 SUBSTITUTED SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-01 US disclosed
US-20090005373-A1 SUBSTITUTED SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-01 US disclosed
EP-1873159-A1 Substituted sulphonamido-macrocycles as Tie2 inhibitors and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-02 EP disclosed
WO-2007147575-A2 SUBSTITUTED SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISINGS SAME, METHODS OF PREPARING SAME AND USES SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 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-20090005373-A1 SUBSTITUTED SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME TIE1, KDR, TEK NPC1 4377/4885RAB9A 4586/4885POLB 3683/4885

“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.