SCHEMBL20960412

SCHEMBL20960412

COC(O)c1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 7/20 0.41
CYP3A4 P08684 5/20 0.41
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 2/20 0.37
TP53 P04637 2/20 0.37
HIF1A Q16665 2/20 0.36
ACHE P22303 1/20 0.36
CA3 P07451 1/20 0.36
THRB P10828 1/20 0.36
CA6 P23280 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA14 Q9ULX7 1/20 0.36
NFKB1 P19838 1/20 0.35
TSHR P16473 2/20 0.35
HTT P42858 2/20 0.34

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
SCHEMBL23583776 0.88 CYP19A1 (0.49) APPCYP19A1
SCHEMBL9979794 0.87 AOC3 (0.34) CYP3A4NFKB1TSHRGAABLM
SCHEMBL19356158 0.86 TSHR (0.42) TDP1MAPK1ALDH1A1CYP3A4KMT2A
SCHEMBL13283559 0.83 TYR (0.41) MAPK1ALDH1A1MEN1MAPTKMT2A
SCHEMBL24483326 0.79 ADRB2 (0.48) TDP1ALDH1A1MAPTKMT2AALOX15
SCHEMBL6203868 0.78 CHRNA7 (0.41) TDP1ALDH1A1MEN1MAPTKMT2A
SCHEMBL17124666 0.78 TSHR (0.36) CYP3A4KMT2AACHENFKB1TSHR
SCHEMBL21769395 0.78 ESR1 (0.50) TDP1ALDH1A1CYP3A4MEN1MAPT
SCHEMBL10186917 0.76 IDO1 (0.31)
SCHEMBL6206391 0.76 AOC3 (0.44) ALDH1A1MEN1MAPTKMT2AACHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025878-A1 MDM2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-25 US disclosed
US-20200298194-A1 ARAMID AMPHIPHILE SELF-ASSEMBLED NANOSTRUCTURES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-09-24 US disclosed
EP-2897940-B1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INT (DE) 2019-05-01 EP 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-20240025878-A1 MDM2 DEGRADERS AND USES THEREOF MDM2, TP53, MDM4 TDP1 409/4885MAPK1 4323/4885ALDH1A1 1804/4885
US-20200298194-A1 ARAMID AMPHIPHILE SELF-ASSEMBLED NANOSTRUCTURES ANXA6, ANXA1, ANXA11 TDP1 2491/4885MAPK1 4785/4885ALDH1A1 3690/4885

“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.