SCHEMBL15009401

SCHEMBL15009401

CSc1ccc(CNC2C3CC4CC(C3)CC2C4)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.58
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP3A4 P08684 2/20 0.42
CXCR3 P49682 1/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
MAPT P10636 2/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.40
EPHX2 P34913 2/20 0.39
SLC6A4 P31645 2/20 0.39

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
SCHEMBL3363980 0.78 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2ACXCR3MAPT
SCHEMBL9720812 0.78 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2ACXCR3KDM4E
SCHEMBL3360454 0.78 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2ACXCR3KDM4E
SCHEMBL13397148 0.78 SMN1; SMN2 (0.67) SMN1; SMN2CXCR3EPHX2SLC6A3
SCHEMBL12875947 0.78 SMN1; SMN2 (0.67) SMN1; SMN2CXCR3EPHX2SLC6A3
SCHEMBL3359767 0.78 SMN1; SMN2 (0.67) SMN1; SMN2CXCR3EPHX2SLC6A3
SCHEMBL3360370 0.77 MEN1 (0.58) SMN1; SMN2MEN1KMT2ACYP2C19CXCR3
SCHEMBL19524621 0.75 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2ACXCR3LMNA
SCHEMBL3360579 0.75 SMN1; SMN2 (0.97) SMN1; SMN2MEN1KMT2ACXCR3KDM4E
SCHEMBL11228127 0.74 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2ACYP2C19CXCR3

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-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
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 SMN1; SMN2 4878/4885MEN1 3879/4885KMT2A 4163/4885

“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.