SCHEMBL23302003

SCHEMBL23302003

C[C@H](Nc1cc(F)ccc1[N+](=O)[O-])C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 5/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 6/20 0.40
HTR6 P50406 4/20 0.39
MAPK1 P28482 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
CES2 O00748 1/20 0.39
ABCB11 O95342 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
AR P10275 1/20 0.39
CHRM1 P11229 1/20 0.39
ALOX15 P16050 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
SCHEMBL29723953 1.00 ATM (0.47) ATMTDP1MAPTCYP1A2CYP3A4
SCHEMBL23302004 1.00 ATM (0.47) ATMTDP1MAPTCYP1A2CYP3A4
SCHEMBL2975856 0.84 MAPT (0.58) ATMTDP1MAPTCYP1A2CYP3A4
SCHEMBL30135470 0.84 MAPT (0.58) ATMTDP1MAPTCYP1A2CYP3A4
SCHEMBL4869291 0.78 ALDH1A1 (0.56) ATMTDP1MAPTCYP1A2CYP3A4
SCHEMBL9474771 0.78 ALDH1A1 (0.56) ATMTDP1MAPTCYP1A2CYP3A4
SCHEMBL5021179 0.77 ALDH1A1 (0.62) MAPTALDH1A1HTR6MAPK1SMN1; SMN2
SCHEMBL20241918 0.77 MAPT (0.57) ATMTDP1MAPTALDH1A1HTR6
SCHEMBL1748147 0.76 ALDH1A1 (0.46) ATMTDP1MAPTCYP1A2CYP3A4
SCHEMBL29705127 0.76 TDP1 (0.58) ATMTDP1MAPTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166622-A1 FLUORINATED QUINOLINE, QUINOXALINE AND BENZO[B][1,4]OXAZINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE (DHODH) INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES JANSSEN BIOTECH, INC. 2024-05-23 US disclosed
EP-4051671-A1 FLUORINATED QUINOLINE, QUINOXALINE AND BENZO[B][1,4]OXAZINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE (DHODH) INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES Janssen Biotech, Inc. (US) 2022-09-07 EP disclosed
WO-2021084498-A1 FLUORINATED QUINOLINE, QUINOXALINE AND BENZO[B][1,4]OXAZINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE (DHODH) INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES JANSSEN BIOTECH, INC. (US) 2021-05-06 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 (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-20240166622-A1 FLUORINATED QUINOLINE, QUINOXALINE AND BENZO[B][1,4]OXAZINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE (DHODH) INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES DHODH, XDH, NQO2 ATM 4543/4885TDP1 1069/4885MAPT 4278/4885

“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.