SCHEMBL21258643

SCHEMBL21258643

O=c1c([N+](=O)[O-])cccn1C1CCCO1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 7/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
HPGD P15428 2/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL15803824 0.78 RECQL (0.42) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL21258644 0.77 KMT2A (0.45) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL16794682 0.77 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL20697279 0.76 MAPT (0.40) KMT2AALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL21227487 0.72 KMT2A (0.41) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL21227512 0.72 KMT2A (0.41) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL15132784 0.71 KMT2A (0.48) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL13120869 0.69 RECQL (0.48) KMT2AALDH1A1SMN1; SMN2RECQLL3MBTL1
SCHEMBL15803826 0.68 RECQL (0.50) KMT2AALDH1A1SMN1; SMN2RECQLL3MBTL1
SCHEMBL9101081 0.67 KMT2A (0.43) KMT2AMEN1ALDH1A1MAPTNPC1

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-10562907-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-18 US disclosed
US-20190248797-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-15 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-20190248797-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 KMT2A 206/4885MEN1 2491/4885ALDH1A1 4827/4885
US-10562907-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 KMT2A 206/4885MEN1 2491/4885ALDH1A1 4827/4885

“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.