SCHEMBL31075422

SCHEMBL31075422

COc1cc([N+](=O)[O-])ccc1I

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.66
TDP1 Q9NUW8 1/20 0.59
PKM P14618 1/20 0.54
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
PTGS2 P35354 2/20 0.49
CYP19A1 P11511 1/20 0.49
KCNMA1 Q12791 1/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 6/20 0.47
GLA P06280 1/20 0.47
EPHX1 P07099 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL446056 1.00 HTT (0.66) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL38657150 0.85 TDP1 (0.64) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL1027041 0.85 TDP1 (0.64) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL527567 0.82 HTT (0.72) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL29441283 0.82 HTT (0.72) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL12782259 0.81 MAPT (0.51) HTTTDP1LMNAPTGS2CYP19A1
SCHEMBL5652275 0.80 RECQL (0.51) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL57125 0.79 HTT (0.68) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL222283 0.79 HTT (1.00) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL8977874 0.79 HTT (0.68) HTTTDP1PKMLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250339388-A1 PHENYLALANINE-BASED LAT1 INHIBITORS AND USES THEREOF MAXYMUNE THERAPEUTICS INC (US) 2025-11-06 US disclosed
US-20250319046-A1 PHENYLALANINE-BASED LAT1 INHIBITORS AND USES THEREOF MAXYMUNE THERAPEUTICS INC (US) 2025-10-16 US disclosed
US-12427124-B1 Phenylalanine-based LAT1 inhibitors and uses thereof Maxymune Therapeutics, Inc. (US) 2025-09-30 US disclosed
WO-2024177984-A1 BENZOTHIA(DIA)ZEPINE COMPOUNDS FOR TREATMENT OF HBV AND HDV ASSEMBLY BIOSCIENCES, INC. (US) 2024-08-29 WO 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 (3 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-20250339388-A1 PHENYLALANINE-BASED LAT1 INHIBITORS AND USES THEREOF SLC43A1, SLC7A1, SLC1A5 HTT 2982/4885TDP1 1176/4885PKM 841/4885
US-12427124-B1 Phenylalanine-based LAT1 inhibitors and uses thereof SLC43A1, SLC7A1, SLC1A5 HTT 2982/4885TDP1 1176/4885PKM 841/4885
US-20250319046-A1 PHENYLALANINE-BASED LAT1 INHIBITORS AND USES THEREOF SLC43A1, SLC7A1, SLC1A5 HTT 2982/4885TDP1 1176/4885PKM 841/4885

“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.