SCHEMBL17833376

SCHEMBL17833376

COCCNC(=O)Cn1c(N(C)Cc2ccccc2)nc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 3/20 0.48
MEN1 O00255 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC6 Q9UBN7 1/20 0.45
POLB P06746 1/20 0.44
GSK3B P49841 1/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPT P10636 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL17824311 0.81 PTGDR2 (0.54) ALDH1A1MEN1KMT2AHDAC6KDM4E
SCHEMBL17824297 0.80 ALDH1A1 (0.67) TSHRALDH1A1HTTLMNARAB9A
SCHEMBL17824312 0.80 RAB9A (0.64) TSHRALDH1A1HTTLMNARAB9A
SCHEMBL17824289 0.79 LMNA (0.66) TSHRHTTLMNARAB9AMEN1
SCHEMBL17824306 0.78 MAPT (0.71) TSHRRAB9AHDAC6SMN1; SMN2MAPT
SCHEMBL17824310 0.78 LMNA (0.53) TSHRALDH1A1HTTLMNARAB9A
SCHEMBL17824315 0.78 ADORA2A (0.54) TSHRALDH1A1HTTLMNARAB9A
SCHEMBL17824318 0.77 RAB9A (0.53) TSHRALDH1A1HTTLMNARAB9A
SCHEMBL19714116 0.77 KDM4E (0.54) TSHRALDH1A1HTTLMNAPKM
SCHEMBL17833377 0.75 L3MBTL1 (0.64) TSHRALDH1A1HTTLMNAMEN1

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 4 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
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 TSHR 4613/4885ALDH1A1 95/4885HTT 3064/4885

“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.