SCHEMBL3318249

SCHEMBL3318249

CC(C)(C)NC(=O)CCCl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.42
ALDH1A1 P00352 6/20 0.41
NPC1 O15118 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 4/20 0.38
POLB P06746 2/20 0.38
HDAC2 Q92769 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
DUT P33316 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33

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
SCHEMBL9176095 0.86 ALDH1A1 (0.45) SMN1; SMN2HPGDALDH1A1NPC1GAA
SCHEMBL19171550 0.84 SMN1; SMN2 (0.50) SMN1; SMN2HPGDALDH1A1NPC1GAA
SCHEMBL10170 0.82 HDAC2 (0.52) SMN1; SMN2HPGDALDH1A1NPC1GAA
SCHEMBL263784 0.79
SCHEMBL9116620 0.79 ALDH1A1 (0.58) SMN1; SMN2HPGDALDH1A1NPC1GAA
SCHEMBL23772642 0.77 ALDH1A1 (0.56) SMN1; SMN2HPGDALDH1A1NPC1GAA
SCHEMBL3902710 0.77 SMN1; SMN2 (0.46) SMN1; SMN2HPGDALDH1A1NPC1GAA
SCHEMBL3902712 0.77 SMN1; SMN2 (0.46) SMN1; SMN2HPGDALDH1A1NPC1GAA
SCHEMBL23772645 0.77 ALDH1A1 (0.56) SMN1; SMN2HPGDALDH1A1NPC1GAA
SCHEMBL18026348 0.75 ALDH1A1 (0.47) SMN1; SMN2HPGDALDH1A1NPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220081412-A1 QUINOLINYL-PYRAZINE-CARBOXAMIDE COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2022-03-17 US disclosed
WO-2020132459-A1 QUINOLINYL-PYRAZINE-CARBOXAMIDE COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-06-25 WO disclosed
US-9115137-B2 2,3,4,5-tetrahydro-1H-pyrido[4,3-B]indole compounds and methods of use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2015-08-25 US disclosed
EP-2244708-B1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES INC (US) 2015-01-14 EP disclosed
US-20130190348-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO [4,3-B] INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130190347-A1 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
EP-2244708-A1 NEW 2,3,4,5-TEtRAHYDRO-1H-PYRIDO [4,3-B] INDOLE COMPOUNDS AND METHODS OF USE THEREOF Medivation Technologies, Inc. (US) 2010-11-03 EP disclosed
US-20100022580-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. 2010-01-28 US disclosed
WO-2009094668-A1 NEW 2,3,4,5-TERAHYDRO-1H-PYRIDO[ 4,3-B] INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2009-07-30 WO disclosed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 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 (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-20130190347-A1 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF HTR2C, HTR3B, HTR4 SMN1; SMN2 2470/4885HPGD 494/4885ALDH1A1 1687/4885
US-20220081412-A1 QUINOLINYL-PYRAZINE-CARBOXAMIDE COMPOUNDS AND USES THEREOF HMGB3, HCCS, ACACA SMN1; SMN2 4828/4885HPGD 173/4885ALDH1A1 2869/4885
US-20100022580-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF HTR2C, HTR3B, HTR4 SMN1; SMN2 2787/4885HPGD 519/4885ALDH1A1 1456/4885
US-20130190348-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO [4,3-B] INDOLE COMPOUNDS AND METHODS OF USE THEREOF HTR2C, HTR3B, HTR4 SMN1; SMN2 2787/4885HPGD 519/4885ALDH1A1 1456/4885

“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.