SCHEMBL14745183

SCHEMBL14745183

CCCC(=NC(C)(C)C)c1cn(C)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 1/20 0.53
ALOX12 P18054 1/20 0.53
POLB P06746 1/20 0.49
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MITF O75030 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTT P42858 1/20 0.48
NR4A2 P43354 1/20 0.46
GPR84 Q9NQS5 1/20 0.45
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39

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
SCHEMBL14745181 1.00 SMN1; SMN2 (0.53) SMN1; SMN2TSHRALOX12POLBLMNA
SCHEMBL14745414 0.74 LMNA (0.71) SMN1; SMN2TSHRALOX12POLBLMNA
SCHEMBL16440978 0.74 LMNA (0.54) SMN1; SMN2TSHRALOX12POLBLMNA
SCHEMBL24198805 0.71 HTT (0.66) SMN1; SMN2POLBLMNAALDH1A1MITF
SCHEMBL13543195 0.69 HTT (0.73) SMN1; SMN2POLBLMNAALDH1A1MITF
SCHEMBL4106159 0.69 KMT2A (0.73) SMN1; SMN2TSHRALOX12POLBLMNA
SCHEMBL14745010 0.69 TSHR (0.33) SMN1; SMN2TSHRALOX12ALDH1A1MAPT
SCHEMBL18539625 0.69 POLB (0.52) SMN1; SMN2TSHRALOX12POLBLMNA
SCHEMBL15086659 0.68 ALDH1A1 (0.47) SMN1; SMN2POLBLMNAALDH1A1MITF
SCHEMBL3275636 0.68 NR4A2 (0.64) SMN1; SMN2TSHRALOX12POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
EP-2751095-A2 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF Sanford-Burnham Medical Research Institute (US) 2014-07-09 EP disclosed
WO-2013033246-A2 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF BRAINCELLS, INC. (US) 2013-03-07 WO disclosed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP SMN1; SMN2 4224/4885TSHR 4837/4885ALOX12 3028/4885

“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.