SCHEMBL20063084

SCHEMBL20063084

CC(C)c1ccc([N+](=O)[O-])c2cccnc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
MEN1 O00255 4/20 0.68
MAPT P10636 15/20 0.63
ALDH1A1 P00352 9/20 0.63
KDM4E B2RXH2 4/20 0.63
CTSB P07858 3/20 0.63
LMNA P02545 3/20 0.63
TDP1 Q9NUW8 2/20 0.63
HTT P42858 2/20 0.63
NPC1 O15118 1/20 0.63
BRD4 O60885 1/20 0.63
HSP90AA1 P07900 1/20 0.63
CHRM1 P11229 1/20 0.63
DRD2 P14416 1/20 0.63
ALOX12 P18054 1/20 0.63
ADRA2B P18089 1/20 0.63
ADRA2C P18825 1/20 0.63
CHRM3 P20309 1/20 0.63
HTR2C P28335 1/20 0.63

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
SCHEMBL29066533 0.81 KMT2A (0.59) KMT2ASMN1; SMN2MEN1MAPTALDH1A1
SCHEMBL2246159 0.81 KMT2A (1.00) KMT2ASMN1; SMN2MEN1MAPTALDH1A1
SCHEMBL11321990 0.79 L3MBTL1 (0.48) KMT2ASMN1; SMN2MEN1MAPTKDM4E
SCHEMBL21816802 0.79 MAPT (0.69) KMT2ASMN1; SMN2MEN1MAPTALDH1A1
SCHEMBL26656754 0.78 TDP1 (0.55) KMT2ASMN1; SMN2MEN1MAPTALDH1A1
SCHEMBL15093675 0.78 KMT2A (0.68) KMT2ASMN1; SMN2MEN1MAPTALDH1A1
SCHEMBL6609076 0.78 ALDH1A1 (0.77) KMT2ASMN1; SMN2MEN1MAPTALDH1A1
SCHEMBL3189942 0.78 MAPT (0.67) KMT2ASMN1; SMN2MEN1MAPTALDH1A1
SCHEMBL16066003 0.78 MAPT (0.67) KMT2ASMN1; SMN2MEN1MAPTALDH1A1
SCHEMBL2555260 0.78 MAPT (0.67) KMT2ASMN1; SMN2MEN1MAPTALDH1A1

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-11773127-B2 Compounds and methods for treating bacterial infections WASHINGTON UNIVERSITY (US) 2023-10-03 US disclosed
WO-2023180463-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2023-09-28 WO disclosed
US-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2022-01-18 US disclosed
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-04-19 US disclosed
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-04-19 US 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 (3 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-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof PHGDH, PGD, PGK1 KMT2A 3959/4885SMN1; SMN2 4644/4885MEN1 3225/4885
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF PHGDH, PGD, PGK1 KMT2A 3904/4885SMN1; SMN2 4643/4885MEN1 2720/4885
US-11773127-B2 Compounds and methods for treating bacterial infections MMP8, ELANE, MPO KMT2A 3128/4885SMN1; SMN2 3669/4885MEN1 3223/4885

“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.