SCHEMBL31577784

SCHEMBL31577784

CNCCc1ccc(N(C)N2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.46
ATM Q13315 1/20 0.46
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
NR1H3 Q13133 2/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
MTOR P42345 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
RPS6KA2 Q15349 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36

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
SCHEMBL8727685 0.76 ALDH1A1 (0.45) ATMCA9RAB9AALDH1A1MEN1
SCHEMBL6825326 0.70 TSHR (0.60) TAAR1ATMTMEM97SIGMAR1CA1
SCHEMBL31577947 0.70 SIGMAR1 (0.51) SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL7480856 0.70 SLC6A2 (0.45) RAB9AKMT2ANPC1
SCHEMBL10156581 0.68 TAAR1 (0.76) TAAR1ATMTMEM97SIGMAR1ALDH1A1
SCHEMBL4418547 0.67 CASP3 (0.59) CA1CA2CA9RAB9AALDH1A1
SCHEMBL10100473 0.66 MEN1 (0.40) ATMRAB9AALDH1A1MEN1KMT2A
SCHEMBL1878 0.66 TAAR1 (1.00) TAAR1ATMTMEM97SIGMAR1RAB9A
SCHEMBL19355275 0.66 TAAR1 (1.00) TAAR1ATMTMEM97SIGMAR1RAB9A
Phthalic Anhydride SCHEMBL29257249 0.66 TMEM97 (0.66) TAAR1ATMTMEM97SIGMAR1NR1H3

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-20250163042-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-05-22 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-20250163042-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 TAAR1 2050/4885ATM 194/4885TMEM97 3971/4885

“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.