SCHEMBL17824317

SCHEMBL17824317

COCCNC(=O)Cn1c(NCC(C)C)nc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
RAB9A P51151 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PKM P14618 1/20 0.54
LMNA P02545 3/20 0.54
USP2 O75604 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MCHR1 Q99705 1/20 0.44

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
SCHEMBL17824312 0.86 RAB9A (0.64) ALDH1A1RAB9AMEN1KMT2APKM
SCHEMBL19714422 0.83 MEN1 (0.52) ALDH1A1RAB9AMEN1KMT2APKM
SCHEMBL19713961 0.83 MEN1 (0.52) ALDH1A1RAB9AMEN1KMT2APKM
SCHEMBL19713960 0.83 MEN1 (0.52) ALDH1A1RAB9AMEN1KMT2APKM
SCHEMBL17824318 0.83 RAB9A (0.53) ALDH1A1RAB9AMEN1KMT2APKM
SCHEMBL19714421 0.82 DRD2 (0.63) ALDH1A1RAB9AMEN1KMT2APKM
SCHEMBL17824302 0.82 HTT (0.60) ALDH1A1RAB9AMEN1KMT2APKM
SCHEMBL19714278 0.82 ALDH1A1 (0.61) ALDH1A1RAB9AMEN1KMT2APKM
SCHEMBL17824289 0.81 LMNA (0.66) RAB9AMEN1KMT2ALMNATSHR
SCHEMBL19714240 0.81 RAB9A (0.59) ALDH1A1RAB9AMEN1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362184-A1 PRO-SURVIVAL COMPOUNDS HERIOT-WATT UNIVERSITY (GB) 2017-12-21 US disclosed
EP-3230275-A1 PRO-SURVIVAL COMPOUNDS University Court of The University of Glasgow (GB) 2017-10-18 EP disclosed
WO-2016092327-A1 PRO-SURVIVAL COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2016-06-16 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-20170362184-A1 PRO-SURVIVAL COMPOUNDS MCL1, MKI67, MORF4L1 ALDH1A1 95/4885RAB9A 2097/4885MEN1 2331/4885

“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.