SCHEMBL15029124

SCHEMBL15029124

Clc1ccc(CNC23CC4CC(CC(C4)C2)C3)nn1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.52
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
CNR2 P34972 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
BCHE P06276 1/20 0.39
TRPV6 Q9H1D0 1/20 0.38
EPHX2 P34913 1/20 0.38
SCN9A Q15858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL15008754 1.00 ACHE (0.52) ACHEALDH1A1KDM4ECNR2HDAC6
SCHEMBL16887774 0.81 ALDH1A1 (0.48) ACHEALDH1A1KDM4ECNR2HDAC6
SCHEMBL16884317 0.75 CNR2 (0.51) ACHEALDH1A1KDM4ECNR2HDAC6
SCHEMBL15029176 0.73 KDM4E (0.43) ACHEALDH1A1KDM4ECNR2EPHX2
SCHEMBL15009370 0.73 KDM4E (0.43) ACHEALDH1A1KDM4ECNR2EPHX2
SCHEMBL3363337 0.71 ALDH1A1 (0.83) ACHEALDH1A1KDM4ETRPV6EPHX2
SCHEMBL15008840 0.71 ALDH1A1 (0.53) ACHEALDH1A1KDM4ECNR2HDAC6
SCHEMBL15013498 0.70 SMN1; SMN2 (0.61) ACHEALDH1A1KDM4ECNR2HDAC6
SCHEMBL16884230 0.70 ALDH1A1 (0.49) ACHEALDH1A1KDM4ECNR2HDAC6
SCHEMBL19840975 0.70 ALDH1A1 (0.52) ACHEALDH1A1KDM4ECNR2TRPV6

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 5 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-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 ACHE 4827/4885ALDH1A1 3831/4885KDM4E 4563/4885

“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.