SCHEMBL20175320

SCHEMBL20175320

O=[N+]([O-])c1ccc2c(c1)OCCN2CCCO

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
CTSB P07858 1/20 0.38
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 2/20 0.37
CHRNB4 P30926 4/20 0.37
CHRNA3 P32297 4/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL17505042 0.92 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2CTSBPOLB
SCHEMBL20175319 0.88 GAA (0.43) ALDH1A1SMN1; SMN2LMNAGAAMAPT
SCHEMBL17505036 0.86 ALDH1A1 (0.39) ALDH1A1KDM4ESMN1; SMN2CTSBPOLB
SCHEMBL5519155 0.85 GAA (0.47) ALDH1A1SMN1; SMN2LMNAGAAMAPT
SCHEMBL499372 0.82 ALDH1A1 (0.47) ALDH1A1KDM4ECTSBPOLBLMNA
SCHEMBL5518656 0.82 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAGAAMAPT
SCHEMBL20175322 0.81 CHRNB4 (0.41) ALDH1A1SMN1; SMN2LMNAMAPTCHRNB4
SCHEMBL499016 0.81 NOS3 (0.48) ALDH1A1KDM4EMAPTCHRNB4CHRNA3
SCHEMBL17505044 0.81 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAGAAMAPT
SCHEMBL17505037 0.80 MAPT (0.40) ALDH1A1LMNAGAAMAPTCHRNB4

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-20180141922-A1 BENZOXAZINE DERIVATIVES AND USE IN HAIR DYEING L'OREAL (FR) 2018-05-24 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-20180141922-A1 BENZOXAZINE DERIVATIVES AND USE IN HAIR DYEING XDH, KRT18, CYC1 ALDH1A1 1230/4885KDM4E 2585/4885SMN1; SMN2 4081/4885

“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.