SCHEMBL17749697

SCHEMBL17749697

Nc1c(C(=O)N2CCOCC2)cccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 4/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
RECQL P46063 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48

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
SCHEMBL30073534 1.00 KMT2A (0.58) KMT2AL3MBTL1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4893361 0.85 KMT2A (0.60) KMT2AL3MBTL1SMN1; SMN2KDM4EALDH1A1
SCHEMBL12260740 0.85 KMT2A (0.60) KMT2AL3MBTL1SMN1; SMN2KDM4EALDH1A1
SCHEMBL2378215 0.84 KMT2A (0.75) KMT2AL3MBTL1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4462435 0.81 KMT2A (0.61) KMT2AL3MBTL1SMN1; SMN2KDM4EALDH1A1
SCHEMBL17749718 0.80 SMN1; SMN2 (0.56) KMT2AL3MBTL1SMN1; SMN2KDM4EALDH1A1
SCHEMBL30073335 0.80 SMN1; SMN2 (0.56) KMT2AL3MBTL1SMN1; SMN2KDM4EALDH1A1
SCHEMBL10578175 0.80 SMN1; SMN2 (0.55) KMT2ASMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL31172456 0.80 SMN1; SMN2 (0.55) KMT2ASMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL15653095 0.78 SMN1; SMN2 (0.72) KMT2AL3MBTL1SMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3218375-B1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN GENENTECH INC (US) 2022-04-27 EP disclosed
EP-3218375-B1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN GENENTECH INC (US) 2022-04-27 EP disclosed
US-10183009-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-01-22 US disclosed
US-10183009-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-01-22 US disclosed
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
EP-3218375-A1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN Genentech, Inc. (US) 2017-09-20 EP disclosed
WO-2016077378-A1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN GENENTECH, INC. (US) 2016-05-19 WO disclosed
WO-2016077378-A1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN GENENTECH, INC. (US) 2016-05-19 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 (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-10183009-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRPF3 KMT2A 126/4885L3MBTL1 2782/4885SMN1; SMN2 1340/4885
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRPF3 KMT2A 126/4885L3MBTL1 2782/4885SMN1; SMN2 1340/4885

“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.