SCHEMBL26529992

SCHEMBL26529992

O=C(c1ccco1)N1CCC(Cc2nc(-c3cccnc3)no2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TSHR P16473 3/20 0.51
LMNA P02545 3/20 0.51
HSD11B1 P28845 1/20 0.48
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
PKM P14618 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 2/20 0.46
F2 P00734 2/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.45
HDAC4 P56524 1/20 0.45
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL26529989 0.85 RAB9A (0.49) ALDH1A1SMN1; SMN2TSHRLMNAKMT2A
SCHEMBL26530001 0.83 HTT (0.54) ALDH1A1TSHRLMNAKMT2ARAB9A
SCHEMBL26529985 0.82 PPARA (0.49) ALDH1A1SMN1; SMN2TSHRLMNAKMT2A
SCHEMBL26530008 0.82 LMNA (0.50) ALDH1A1SMN1; SMN2TSHRLMNAKMT2A
SCHEMBL26530005 0.82 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TSHRLMNAKMT2A
SCHEMBL26530018 0.81 HTT (0.57) ALDH1A1LMNAKMT2AKDM4EPKM
SCHEMBL26529982 0.81 PPARA (0.50) ALDH1A1SMN1; SMN2TSHRLMNAKMT2A
SCHEMBL26530003 0.80 CYP1A2 (0.56) ALDH1A1SMN1; SMN2TSHRLMNANPC1
SCHEMBL26529999 0.79 TSHR (0.49) ALDH1A1TSHRHSD11B1KMT2AKDM4E
SCHEMBL26529969 0.77 CHRM2 (0.52) ALDH1A1SMN1; SMN2TSHRLMNAKMT2A

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-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-10-12 US disclosed
US-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-10-12 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-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS YTHDF1, YTHDF3, YTHDF2 ALDH1A1 4553/4885SMN1; SMN2 3408/4885TSHR 2302/4885

“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.