SCHEMBL18112975

SCHEMBL18112975

O=[N+]([O-])c1cc(Br)c(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 2/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 3/20 0.44
VCAM1 P19320 5/20 0.43
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
PDE7A Q13946 1/20 0.41
HIF1A Q16665 2/20 0.40
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 1/20 0.39
CTSB P07858 1/20 0.39

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
SCHEMBL32679322 1.00 TDP1 (0.46) TDP1MAPK1TSHRATMALDH1A1
SCHEMBL16972865 0.92 MAPK1 (0.46) TDP1MAPK1TSHRATMALDH1A1
SCHEMBL7872533 0.85 TDP1 (0.46) TDP1MAPK1TSHRATMALDH1A1
SCHEMBL2477068 0.84 TSHR (0.52) TDP1MAPK1TSHRATMALDH1A1
SCHEMBL29653309 0.84 TSHR (0.52) TDP1MAPK1TSHRATMALDH1A1
SCHEMBL30434858 0.82 TDP1 (0.50) TDP1MAPK1TSHRATMALDH1A1
SCHEMBL8967138 0.82 TDP1 (0.50) TDP1MAPK1TSHRATMALDH1A1
SCHEMBL29663529 0.82 ATM (0.55) TDP1MAPK1ATMALDH1A1CYP3A4
SCHEMBL9694173 0.82 TSHR (0.50) TDP1MAPK1TSHRATMALDH1A1
SCHEMBL7335 0.82 ATM (0.55) TDP1MAPK1ATMALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024017258-A1 EGFR SMALL MOLECULE INHIBITOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF 百极弘烨(南通)医药科技有限公司 2024-01-25 WO disclosed
US-11773091-B2 6-5 fused rings as C5a inhibitors CHEMOCENTRYX, INC. (US) 2023-10-03 US disclosed
CN-116670127-A EGFR inhibitors and compositions and uses thereof 贝达药业股份有限公司 2023-08-29 CN disclosed
US-20230151002-A1 6-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX, INC. 2023-05-18 US disclosed
CN-110997674-B 6-5 fused rings as C5a inhibitors 凯莫森特里克斯股份有限公司 2022-12-20 CN disclosed
WO-2022206797-A1 EGFR INHIBITOR, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2022-10-06 WO disclosed
US-10710978-B2 STK4 inhibitors for treatment of hematologic malignancies DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-07-14 US disclosed
CN-110997674-A 6-5 fused rings as C5a inhibitors 凯莫森特里克斯股份有限公司 2020-04-10 CN disclosed
US-20180111916-A1 STK4 INHIBITORS FOR TREATMENT OF HEMATOLOGIC MALIGNANCIES FONDAZIONE CENTRO SAN RAFFAELE (IT) 2018-04-26 US disclosed
US-20180111916-A1 STK4 INHIBITORS FOR TREATMENT OF HEMATOLOGIC MALIGNANCIES FONDAZIONE CENTRO SAN RAFFAELE (IT) 2018-04-26 US disclosed
WO-2016161145-A1 STK4 INHIBITORS FOR TREATMENT OF HEMATOLOGIC MALIGNANCIES DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-10-06 WO disclosed
WO-2016161145-A1 STK4 INHIBITORS FOR TREATMENT OF HEMATOLOGIC MALIGNANCIES DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-10-06 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 (4 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-20230151002-A1 6-5 FUSED RINGS AS C5a INHIBITORS C5AR1, C5AR2, C3AR1 TDP1 4383/4885MAPK1 2196/4885TSHR 766/4885
US-11773091-B2 6-5 fused rings as C5a inhibitors C5AR1, C5AR2, C3AR1 TDP1 4383/4885MAPK1 2196/4885TSHR 766/4885
US-20180111916-A1 STK4 INHIBITORS FOR TREATMENT OF HEMATOLOGIC MALIGNANCIES STK4, STK3, STK11 TDP1 1095/4885MAPK1 341/4885TSHR 3410/4885
US-10710978-B2 STK4 inhibitors for treatment of hematologic malignancies STK4, STK3, STK11 TDP1 1095/4885MAPK1 341/4885TSHR 3410/4885

“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.