SCHEMBL7985136

SCHEMBL7985136

Nc1c([N+](=O)[O-])ccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
HPRT1 P00492 1/20 0.56
CTSB P07858 2/20 0.50
TDP1 Q9NUW8 5/20 0.49
TSHR P16473 4/20 0.49
CASP6 P55212 1/20 0.47
CYP3A4 P08684 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TTR P02766 1/20 0.44
ALB P02768 1/20 0.44
THRB P10828 1/20 0.44
MAPT P10636 3/20 0.44
HNF4A P41235 2/20 0.44
KDM4E B2RXH2 1/20 0.42
CYP2A6 P11509 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL1135597 1.00 ALDH1A1 (0.60) ALDH1A1HPRT1CTSBTDP1TSHR
Nitric Acid SCHEMBL4385055 0.95 ALDH1A1 (0.55) ALDH1A1HPRT1CTSBTDP1TSHR
Nitrous Acid SCHEMBL1613758 0.93 ALDH1A1 (0.53) ALDH1A1HPRT1CTSBTDP1TSHR
Nitrous Acid SCHEMBL6927483 0.93 ALDH1A1 (0.53) ALDH1A1HPRT1CTSBTDP1TSHR
SCHEMBL28375108 0.84 CYP3A4 (0.50) ALDH1A1HPRT1CTSBTDP1TSHR
SCHEMBL23499978 0.83 ALDH1A1 (0.50) ALDH1A1HPRT1CTSBTDP1TSHR
SCHEMBL3065809 0.79 CASP6 (0.59) ALDH1A1HPRT1CTSBTDP1TSHR
SCHEMBL16204105 0.79 TDP1 (0.50) ALDH1A1CTSBTDP1TSHRCYP3A4
SCHEMBL187452 0.78 TSHR (0.65) ALDH1A1HPRT1CTSBTDP1TSHR
SCHEMBL1645671 0.78 ALDH1A1 (0.62) ALDH1A1HPRT1CTSBTDP1TSHR

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
US-6271236-B1 PHENYL UREAS/THIOUREAS AS INHIBITORS OF INOSINE MONOPHOSPHATE DEHYDROGENASE ENZYME, USEFUL IN TREATING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, AND VARICELLA-ZOSTER VIRUS WYETH 2001-08-07 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 (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 ALDH1A1 2745/4885HPRT1 248/4885CTSB 1883/4885
US-12427124-B1 Phenylalanine-based LAT1 inhibitors and uses thereof SLC43A1, SLC7A1, SLC1A5 ALDH1A1 2745/4885HPRT1 248/4885CTSB 1883/4885
US-20250319046-A1 PHENYLALANINE-BASED LAT1 INHIBITORS AND USES THEREOF SLC43A1, SLC7A1, SLC1A5 ALDH1A1 2745/4885HPRT1 248/4885CTSB 1883/4885

“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.