SCHEMBL10271335

SCHEMBL10271335

COCOc1ccc(C)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.49
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ATM Q13315 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 3/20 0.42
HTT P42858 1/20 0.41
HSP90AA1 P07900 1/20 0.41
ESR1 P03372 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL9901812 0.83 GAA (0.41) HPGDSMN1; SMN2MAPTTDP1HTT
SCHEMBL29493423 0.82 MAPT (0.39) HPGDRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4500324 0.82 DRD2 (0.49) HPGDDRD2DRD4DRD3RAB9A
SCHEMBL29869461 0.82 ALDH1A1 (0.43) HPGDRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL12314714 0.82 TSHR (0.41) HPGDRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL23117757 0.82 FYN (0.43) SMN1; SMN2MEN1KMT2AL3MBTL1MAPT
SCHEMBL17978454 0.82 ALDH1A1 (0.43) HPGDRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL1527596 0.82 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6566335 0.82 MAPT (0.39) HPGDRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL10218896 0.82 MCL1 (0.57) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3256461-B1 UREA AND SULFONAMIDE DERIVATIVES AS HUMAN HELICASE DDX3 INHIBITORS USEFUL IN THE TREATMENT OF VIRAL DISEASES AZIENDA OSPEDALIERA UNIV SENESE (IT) 2023-09-13 EP disclosed
US-20180016243-A1 HUMAN HELICASE DDX3 INHIBITORS AS THERAPEUTIC AGENTS AZIENDA OSPEDALIERA UNIVERSITARIA SENESE (IT) 2018-01-18 US disclosed
WO-2017162834-A1 USE OF DDX3 INHIBITORS AS ANTIPROLIFERATIVE AGENTS AZIENDA OSPEDALIERA UNIVERSITARIA SENESE (IT) 2017-09-28 WO disclosed
US-20130184462-A1 METHOD FOR PREDICTING AND MODELING ANTI-PSYCHOTIC ACTIVITY USING VIRTUAL SCREENING MODEL COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-07-18 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-7955861-B2 Luminescent diketonate polymers UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-06-07 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 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 (2 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-20180016243-A1 HUMAN HELICASE DDX3 INHIBITORS AS THERAPEUTIC AGENTS DDX3X, DDX39B, DDX1 HPGD 2832/4885DRD2 4632/4885DRD4 3878/4885
US-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG HPGD 2070/4885DRD2 233/4885DRD4 206/4885

“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.