SCHEMBL15029035

SCHEMBL15029035

O=C(CNC12CC3CC(CC(C3)C1)C2)c1cccs1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
KDM4E B2RXH2 2/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
HSD11B1 P28845 2/20 0.46
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
GSK3B P49841 1/20 0.45
DPP4 P27487 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
GLA P06280 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
SCHEMBL16884365 0.83 ALDH1A1 (0.50) ALDH1A1KDM4EKMT2AHSD11B1DPP4
SCHEMBL16884333 0.82 HDAC6 (0.53) ALDH1A1KDM4EHPGDKMT2ALMNA
SCHEMBL15029042 0.75 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL1578178 0.72 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL5047667 0.72 HSD11B1 (0.52) ALDH1A1KDM4EKMT2AMEN1NPC1
SCHEMBL15009750 0.71 KDM4E (0.59) ALDH1A1KDM4EKMT2APOLBHSD11B1
SCHEMBL1074071 0.71 HDAC6 (0.52) ALDH1A1KDM4ENPC1LMNAPOLB
SCHEMBL711360 0.70 RAB9A (0.75) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL15974627 0.70 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL3751786 0.69 KDM4E (0.57) ALDH1A1KDM4EKMT2ANPC1RAB9A

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
US-9884832-B2 Inhibitors targeting drug-resistant influenza A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-06 US disclosed
US-9884832-B2 Inhibitors targeting drug-resistant influenza A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-06 US disclosed
US-9884832-B2 Inhibitors targeting drug-resistant influenza A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-06 US disclosed
US-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-09 US disclosed
US-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-09 US disclosed
US-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-09 US disclosed
WO-2013086131-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-06-13 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-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A HAVCR2, HDLBP, HSP90B1 ALDH1A1 3831/4885KDM4E 4563/4885HPGD 3158/4885

“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.