SCHEMBL17824302

SCHEMBL17824302

COCCNC(=O)Cn1c(NCc2ccccc2Cl)nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
TP53 P04637 4/20 0.55
TNF P01375 2/20 0.53
KDM4E B2RXH2 2/20 0.53
NOD2 Q9HC29 1/20 0.53
NOD1 Q9Y239 1/20 0.53
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
PKM P14618 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
DRD2 P14416 1/20 0.47
TBXA2R P21731 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL19714421 0.87 DRD2 (0.63) HTTSMN1; SMN2TP53KDM4ENOD2
SCHEMBL17824312 0.87 RAB9A (0.64) HTTSMN1; SMN2TP53RAB9AMEN1
SCHEMBL19728297 0.84 HTT (0.62) HTTSMN1; SMN2TP53TNFKDM4E
SCHEMBL17824271 0.84 RAB9A (0.53) HTTSMN1; SMN2RAB9AMEN1PKM
SCHEMBL19714278 0.82 ALDH1A1 (0.61) HTTSMN1; SMN2KDM4ERAB9AMEN1
SCHEMBL17824317 0.82 ALDH1A1 (0.59) HTTSMN1; SMN2RAB9AMEN1PKM
SCHEMBL19714240 0.81 RAB9A (0.59) HTTSMN1; SMN2TP53RAB9AMEN1
SCHEMBL17824310 0.81 LMNA (0.53) HTTKDM4ERAB9AMEN1PKM
SCHEMBL19714188 0.81 RAB9A (0.61) HTTSMN1; SMN2TP53KDM4ERAB9A
SCHEMBL17824305 0.81 RAB9A (0.54) HTTTP53KDM4ERAB9AMEN1

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-20170362184-A1 PRO-SURVIVAL COMPOUNDS HERIOT-WATT UNIVERSITY (GB) 2017-12-21 US disclosed
US-20170362184-A1 PRO-SURVIVAL COMPOUNDS HERIOT-WATT UNIVERSITY (GB) 2017-12-21 US disclosed
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
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 HTT 3064/4885SMN1; SMN2 10/4885TP53 32/4885

“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.