SCHEMBL31696865

SCHEMBL31696865

O=C(O)Oc1ccc([N+](=O)[O-])cc1CCN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.54
▸ KMT2A Q03164 3/20 0.53
▸ KCNJ1 P48048 3/20 0.52
▸ MEN1 O00255 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ LMNA P02545 3/20 0.49
▸ PKM P14618 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MAPT P10636 3/20 0.46

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
SCHEMBL31696858 0.93 CTSB (0.52) CTSBKMT2AKCNJ1MEN1POLB
SCHEMBL27837565 0.87 ALDH1A1 (0.53) KMT2AKCNJ1MEN1LMNASMN1; SMN2
SCHEMBL32662599 0.81 CYP1A2 (0.46) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL5857285 0.81 ALDH1A1 (0.52) KMT2AKCNJ1MEN1LMNASMN1; SMN2
SCHEMBL27837694 0.80 ALDH1A1 (0.52) KMT2AKCNJ1MEN1LMNASMN1; SMN2
SCHEMBL28171036 0.79 LMNA (0.56) CTSBKMT2AKCNJ1MEN1POLB
SCHEMBL9086867 0.78 POLB (0.51) KMT2APOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL27573003 0.78 TSHR (0.46) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL5147272 0.76 CYP1A2 (0.42) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL20299855 0.76 BCL9 (0.44) KMT2AMEN1LMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441723-B2 Pyrazole compounds, formulations thereof, and a method for using the compounds and/or formulations RIGEL PHARMACEUTICALS, INC. (US) 2025-10-14 — — 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 (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-12441723-B2 Pyrazole compounds, formulations thereof, and a method for using the compounds and/or formulations IRAK1, IRAK3, IRAK2 CTSB 3400/4885KMT2A 1863/4885KCNJ1 1559/4885

“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.

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