SCHEMBL22719652

SCHEMBL22719652

COc1cc(Br)cc([N+](=O)[O-])c1S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
PRKDC P78527 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
S100A4 P26447 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
ERN1 O75460 2/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL29505036 1.00 ALDH1A1 (0.44) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL2088203 0.82 TUBB4A (0.49) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL1494444 0.81 CYP1A2 (0.49) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL31423166 0.81 CYP1A2 (0.49) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL29549530 0.81 MAPT (0.49) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL1116004 0.81 MAPT (0.49) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL29036579 0.81 HTT (0.50) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL11393390 0.80 TPMT (0.49) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL27030179 0.79 ALDH1A1 (0.44) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL2086467 0.79 ERN1 (0.54) ALDH1A1TDP1MAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11925651-B2 TEAD inhibitors and uses thereof Ikena Oncology, Inc. (US) 2024-03-12 US disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-11458149-B1 TEAD inhibitors and uses thereof Ikena Oncology, Inc. (US) 2022-10-04 US disclosed
CN-114502540-A TEAD inhibitors and uses thereof 医肯纳肿瘤学公司 2022-05-13 CN disclosed
EP-3976192-A1 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-04-06 EP disclosed
WO-2020243423-A1 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2020-12-03 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-20230148061-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 ALDH1A1 1195/4885TDP1 103/4885MAPT 507/4885
US-11925651-B2 TEAD inhibitors and uses thereof TEAD2, TEAD3, TEAD4 ALDH1A1 1195/4885TDP1 103/4885MAPT 507/4885
US-11458149-B1 TEAD inhibitors and uses thereof TEAD2, TEAD3, TEAD4 ALDH1A1 1195/4885TDP1 103/4885MAPT 507/4885

“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.