SCHEMBL3072473

SCHEMBL3072473

CCn1nc(C)cc1-c1nnc(SCC(=O)c2ccccc2)n1CCCOC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.52
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
GAA P10253 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HPGD P15428 1/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL12325796 0.91 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2GAANPC1RAB9A
SCHEMBL12325798 0.87 NPC1 (0.56) TDP1NPC1MEN1MAPK1KMT2A
SCHEMBL3083631 0.80 MAPT (0.59) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL3071327 0.76 LMNA (0.60) ALDH1A1SMN1; SMN2HPGDKDM4EMAPT
SCHEMBL3074301 0.73 TP53 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL7746877 0.71 MAPT (0.50) ALDH1A1SMN1; SMN2HPGDMAPTLMNA
SCHEMBL4208241 0.70 ALDH1A1 (0.80) ALDH1A1SMN1; SMN2GAANPC1RAB9A
SCHEMBL8443322 0.69 NPC1 (0.73) ALDH1A1TDP1SMN1; SMN2NPC1RAB9A
SCHEMBL4211069 0.68 ALPG (0.74) ALDH1A1SMN1; SMN2GAANPC1RAB9A
SCHEMBL14104829 0.67 KDM4E (0.47) ALDH1A1TDP1SMN1; SMN2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030171403-A1 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2003-09-11 US claimed
US-7790761-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2010-09-07 US disclosed
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 US disclosed
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 US disclosed
US-7405235-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-7405235-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-20060100248-A1 Blockade of voltage dependent sodium channels GARTHWAITE GITI 2006-05-11 US disclosed
US-7009056-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2006-03-07 US disclosed
US-20030171403-A1 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2003-09-11 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 (3 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-20030171403-A1 Blockade of voltage dependent sodium channels CACNA1F, SCNN1B, CACNA1B ALDH1A1 1123/4885TDP1 3178/4885SMN1; SMN2 754/4885
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB ALDH1A1 3948/4885TDP1 2432/4885SMN1; SMN2 4868/4885
US-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C ALDH1A1 1193/4885TDP1 3364/4885SMN1; SMN2 702/4885

“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.