SCHEMBL3949152

SCHEMBL3949152

COc1ccc(NC(=O)N2CCN(C)CC2)cc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.88
SMN1; SMN2 Q16637 1/20 0.75
BLM P54132 1/20 0.71
KMT2A Q03164 2/20 0.70
TAS1R3 Q7RTX0 1/20 0.67
TAS1R1 Q7RTX1 1/20 0.67
TAS1R2 Q8TE23 1/20 0.67
HTR1A P08908 1/20 0.65
HTR1D P28221 1/20 0.65
HTR1B P28222 1/20 0.65
CYP1A2 P05177 1/20 0.64
CYP2D6 P10635 1/20 0.64
TSHR P16473 1/20 0.64
KDM4E B2RXH2 1/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
LMNA P02545 1/20 0.60
FAAH O00519 1/20 0.60
CA12 O43570 2/20 0.60
CA1 P00915 2/20 0.60

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
SCHEMBL28869329 0.94 MAPT (1.00) MAPTSMN1; SMN2BLMKMT2ATAS1R3
SCHEMBL20236897 0.88 MAPT (0.88) MAPTSMN1; SMN2BLMKMT2ATAS1R3
SCHEMBL3949148 0.88 MAPT (0.88) MAPTSMN1; SMN2BLMKMT2ATAS1R3
SCHEMBL4559572 0.87 SMN1; SMN2 (0.91) MAPTSMN1; SMN2BLMKMT2ATAS1R3
SCHEMBL8361624 0.87 SMN1; SMN2 (0.97) MAPTSMN1; SMN2BLMKMT2ATAS1R3
SCHEMBL5195426 0.86 SMN1; SMN2 (1.00) MAPTSMN1; SMN2BLMKMT2ATAS1R3
SCHEMBL1575142 0.85 MAPT (0.63) MAPTSMN1; SMN2BLMKMT2ATAS1R3
SCHEMBL13234920 0.85 MAPT (0.87) MAPTSMN1; SMN2BLMKMT2AHTR1A
SCHEMBL22217877 0.85 MAPT (0.77) MAPTSMN1; SMN2BLMKMT2ATAS1R3
SCHEMBL20236190 0.84 MAPT (0.80) MAPTSMN1; SMN2BLMKMT2ATAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3331864-B1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2021-11-03 EP disclosed
CN-108137518-B 1,3, 4-oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same 株式会社钟根堂 2021-08-31 CN disclosed
US-10717716-B2 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-07-21 US disclosed
US-10717716-B2 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-07-21 US disclosed
EP-3331864-A2 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2018-06-13 EP disclosed
US-20120238563-A1 NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES CID-NUNEZ JOSE MARIA (ES) 2012-09-20 US disclosed
US-20120238563-A1 NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES CID-NUNEZ JOSE MARIA (ES) 2012-09-20 US disclosed
US-20120035170-A1 NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES NUNEZ JOSE MARIA (ES) 2012-02-09 US disclosed
US-20120035170-A1 NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES NUNEZ JOSE MARIA (ES) 2012-02-09 US disclosed
US-8022102-B2 Unsaturated tetracyclic tetrahydrofuran derivatives JANSSEN PHARMACEUTICA, NV (BE) 2011-09-20 US disclosed
US-8022102-B2 Unsaturated tetracyclic tetrahydrofuran derivatives JANSSEN PHARMACEUTICA, NV (BE) 2011-09-20 US disclosed
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 US disclosed
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 US disclosed
US-20090048269-A1 CHEMICAL COMPOUNDS-821 ASTRAZENECA AB (SE) 2009-02-19 US disclosed
WO-2009022171-A1 PYRIDINYIIOXY PYRIDINES AS ALK5 INHIBITORS ASTRAZENECA AB (SE) 2009-02-19 WO disclosed
US-20070191469-A1 Novel tetracyclic tetrahydrofuran derivatives JANSSEN-CILAG S.A. (ES) 2007-08-16 US disclosed
US-20070191469-A1 Novel tetracyclic tetrahydrofuran derivatives JANSSEN-CILAG S.A. (ES) 2007-08-16 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 (6 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-20120035170-A1 NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES HTR2C, HTR2A, HTR1A MAPT 2632/4885SMN1; SMN2 883/4885BLM 4879/4885
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS ABL1, ABL2, BCR MAPT 1165/4885SMN1; SMN2 3974/4885BLM 1508/4885
US-20070191469-A1 Novel tetracyclic tetrahydrofuran derivatives HTR2C, HTR2A, HTR1A MAPT 2296/4885SMN1; SMN2 979/4885BLM 4874/4885
US-20090048269-A1 CHEMICAL COMPOUNDS-821 TGFBR1, TGFBR2, SMAD3 MAPT 3204/4885SMN1; SMN2 4060/4885BLM 2096/4885
US-20120238563-A1 NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES HTR2C, HTR2A, HTR1A MAPT 2632/4885SMN1; SMN2 883/4885BLM 4879/4885
US-10717716-B2 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same HDAC1, HDAC5, HDAC2 MAPT 1679/4885SMN1; SMN2 752/4885BLM 1297/4885

“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.