SCHEMBL902669

SCHEMBL902669

Cc1noc(C)c1-c1noc(C)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.45
BRD2 P25440 3/20 0.44
GAA P10253 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.41
CREBBP Q92793 2/20 0.41
FTO Q9C0B1 2/20 0.40
ERN1 O75460 2/20 0.40
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.39
P2RY14 Q15391 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL223413 0.81 GAA (0.49) GAAMEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL19119186 0.79 GAA (0.47) GAAMEN1KMT2AALDH1A1LMNA
SCHEMBL3928735 0.77 TSHR (0.56) GAAMEN1KMT2AALDH1A1LMNA
SCHEMBL316093 0.74 KMT2A (0.76) GAAMEN1KMT2AALDH1A1LMNA
SCHEMBL6069726 0.74 ALDH1A1 (0.55) GAAKMT2AALDH1A1LMNAMAPT
SCHEMBL5774873 0.74 LMNA (0.54) GAAMEN1KMT2AALDH1A1LMNA
SCHEMBL316185 0.74 ALDH1A1 (0.76) GAAMEN1KMT2AALDH1A1LMNA
SCHEMBL12543204 0.73 KMT2A (0.51) GAAMEN1KMT2AALDH1A1TSHR
Hydrochloric Acid SCHEMBL4846563 0.73 KMT2A (0.73) GAAMEN1KMT2AALDH1A1LMNA
SCHEMBL19995052 0.73 ALDH1A1 (0.38) GAAMEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-27 US disclosed
US-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-27 US disclosed
WO-2012044531-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 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-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, BAZ2A BRD4 99/4885BRD2 36/4885GAA 4046/4885

“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.