SCHEMBL30104625

SCHEMBL30104625

O=[N+]([O-])c1ccc(Br)cc1OCCN1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
LMNA P02545 1/20 0.64
KDM4E B2RXH2 6/20 0.57
LTA4H P09960 5/20 0.56
PTGS2 P35354 4/20 0.56
PTGS1 P23219 2/20 0.56
TP53 P04637 1/20 0.53
HTT P42858 1/20 0.52
MAPT P10636 2/20 0.48
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 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
SCHEMBL20511532 1.00 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL2324766 0.90 MEN1 (0.57) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL28517201 0.89 CYP1A2 (0.61) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL31641747 0.84 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL15016523 0.83 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL15567163 0.77 LTA4H (0.60) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL1964818 0.77 KDM4E (0.66) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL954152 0.77 KDM4E (0.70) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL14784605 0.77 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL24398580 0.76 LTA4H (0.59) ALDH1A1MEN1KMT2ALMNAKDM4E

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-20240092745-A1 DRUGS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2024-03-21 US disclosed
US-11548861-B2 Drugs and compositions for the treatment of ocular disorders Graybug Vision, Inc. (US) 2023-01-10 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-11548861-B2 Drugs and compositions for the treatment of ocular disorders PDE6C, PDE6A, PDE6D ALDH1A1 1084/4885MEN1 3568/4885KMT2A 4813/4885
US-20240092745-A1 DRUGS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS PDE6C, PDE6A, PDE6D ALDH1A1 1084/4885MEN1 3568/4885KMT2A 4813/4885

“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.