SCHEMBL25873496

SCHEMBL25873496

Cc1nc(C(N)=O)c([N+](=O)[O-])cc1OCCCN1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.59
▸ ALDH1A1 P00352 4/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ NPC1 O15118 2/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ HTR1A P08908 3/20 0.43
▸ HTR2A P28223 2/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ EPHX2 P34913 1/20 0.41

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
SCHEMBL30946635 0.88 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL21199308 0.88 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL25873500 0.83 CYP2D6 (0.58) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL25873499 0.82 CYP1A2 (0.56) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6532154 0.79 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5499989 0.79 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL29567519 0.77 CYP2D6 (0.65) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL28748593 0.77 CYP2D6 (0.65) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL30803039 0.76 CYP2C19 (0.57) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL19436432 0.76 CYP2C19 (0.57) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A

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-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2023-11-23 — — US disclosed
US-11708367-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-07-25 — — 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-11708367-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, ERBB3, MAP3K6 KDM4E 2929/4885ALDH1A1 3215/4885SMN1; SMN2 1215/4885
US-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, ERBB3, MAP3K6 KDM4E 2929/4885ALDH1A1 3215/4885SMN1; SMN2 1215/4885

“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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