SCHEMBL25514832

SCHEMBL25514832

COc1c(C)cc([N+](=O)[O-])cc1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
LMNA P02545 3/20 0.54
MAPT P10636 3/20 0.54
MITF O75030 1/20 0.54
HTT P42858 1/20 0.54
CCR6 P51684 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP3A4 P08684 2/20 0.46
KMT2A Q03164 2/20 0.43
GPR35 Q9HC97 1/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 3/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.40
POLB P06746 2/20 0.40
NNMT P40261 1/20 0.40

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
SCHEMBL7053647 0.86 PKM (0.51) ALDH1A1MAPTHTTCYP3A4KMT2A
SCHEMBL25514824 0.86 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAMAPTMITF
SCHEMBL11375108 0.84 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAMAPTMITF
SCHEMBL4582721 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAMAPTMITF
SCHEMBL31095259 0.84 LMNA (0.51) ALDH1A1SMN1; SMN2LMNAMAPTMITF
SCHEMBL15486324 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAMAPTMITF
SCHEMBL11385585 0.82 KMT2A (0.54) ALDH1A1SMN1; SMN2LMNAMAPTMITF
SCHEMBL7587035 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAMAPTMITF
SCHEMBL654449 0.81 TSHR (0.52) ALDH1A1LMNAMAPTHTTNPSR1
SCHEMBL27597666 0.80 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNAMAPTMITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271975-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-08-31 US disclosed
US-11661426-B2 Imidazole-containing inhibitors of ALK2 kinase BIOCRYST PHARMACEUTICALS, INC. (US) 2023-05-30 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 (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-20230271975-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A ALDH1A1 980/4885SMN1; SMN2 989/4885LMNA 1462/4885
US-11661426-B2 Imidazole-containing inhibitors of ALK2 kinase ALK, ACVR2B, ACVR2A ALDH1A1 980/4885SMN1; SMN2 989/4885LMNA 1462/4885

“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.