SCHEMBL29905613

SCHEMBL29905613

Cc1ccccc1C(=O)N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.61
KCNH2 Q12809 1/20 0.58
DHODH Q02127 2/20 0.55
BRD3 Q15059 7/20 0.54
MAPT P10636 2/20 0.52
ALOX15 P16050 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPK1 P28482 1/20 0.52
GAA P10253 1/20 0.47
CASP6 P55212 1/20 0.47
CDC42 P60953 1/20 0.45
SIRT1 Q96EB6 3/20 0.45
RECQL P46063 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4022197 1.00 CYP2D6 (0.61) CYP2D6KCNH2DHODHBRD3MAPT
SCHEMBL21114855 1.00 CYP2D6 (0.61) CYP2D6KCNH2DHODHBRD3MAPT
SCHEMBL4021701 0.89 CYP2D6 (0.60) CYP2D6KCNH2DHODHBRD3MAPT
SCHEMBL4024942 0.89 CYP2D6 (0.60) CYP2D6KCNH2DHODHBRD3MAPT
SCHEMBL4024328 0.88 CYP2D6 (0.57) CYP2D6KCNH2DHODHBRD3MAPT
SCHEMBL13780962 0.88 DHODH (0.71) DHODHBRD3MAPTALOX15SMN1; SMN2
SCHEMBL4021888 0.86 CYP2D6 (0.67) CYP2D6KCNH2DHODHBRD3MAPT
SCHEMBL4024141 0.86 CYP2D6 (0.67) CYP2D6KCNH2DHODHBRD3MAPT
SCHEMBL4025938 0.86 CYP2D6 (0.67) CYP2D6KCNH2DHODHBRD3MAPT
SCHEMBL4025623 0.85 CYP2D6 (0.56) CYP2D6KCNH2DHODHBRD3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240325373-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE IN COMBINATION WITH AN ANTI-CD47-SIRPA THERAPEUTIC AGENT OHIO STATE INNOVATION FOUNDATION (US) 2024-10-03 US disclosed
EP-4362968-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE IN COMBINATION WITH AN ANTI-CD47-SIRPA THERAPEUTIC AGENT Ohio State Innovation Foundation (US) 2024-05-08 EP disclosed
CN-117915938-A Methods and compositions for inhibiting dihydroorotate dehydrogenase in combination with anti-CD 47-sirpa therapeutic agents 俄亥俄州国家创新基金会 2024-04-19 CN disclosed
US-20230303710-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE IN COMBINATION WITH AN ANTI-CD38 THERAPEUTIC AGENT OHIO STATE INNOVATION FOUNDATION (US) 2023-09-28 US disclosed
WO-2023043830-A1 COMBINATION THERAPIES TO TREAT VIRAL INFECTIONS Clear Creek Bio, Inc. (US) 2023-03-23 WO disclosed
WO-2023278778-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE IN COMBINATION WITH AN ANTI-CD47-SIRPΑ THERAPEUTIC AGENT OHIO STATE INNOVATION FOUNDATION (US) 2023-01-05 WO disclosed
CN-115335052-A Methods and compositions for inhibiting dihydroorotate dehydrogenase in combination with anti-CD 38 therapeutics 俄亥俄州国家创新基金会 2022-11-11 CN disclosed
EP-4081219-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE IN COMBINATION WITH AN ANTI-CD38 THERAPEUTIC AGENT Ohio State Innovation Foundation (US) 2022-11-02 EP disclosed
US-20220280513-A1 ENHANCING THE ANTIVIRAL EFFICACY OF RNA VIRUS INHIBITION BY COMBINATION WITH MODULATORS OF PYRIMIDINE METABOLISM THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2022-09-08 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-20240325373-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE IN COMBINATION WITH AN ANTI-CD47-SIRPA THERAPEUTIC AGENT DHODH, CD47, IDH1 CYP2D6 1031/4885KCNH2 1886/4885DHODH 1/4885
US-20230303710-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE IN COMBINATION WITH AN ANTI-CD38 THERAPEUTIC AGENT DHODH, CD38, DPYD CYP2D6 414/4885KCNH2 1619/4885DHODH 1/4885
US-20220280513-A1 ENHANCING THE ANTIVIRAL EFFICACY OF RNA VIRUS INHIBITION BY COMBINATION WITH MODULATORS OF PYRIMIDINE METABOLISM EIF2AK2, RNGTT, RNMT CYP2D6 1448/4885KCNH2 4197/4885DHODH 167/4885

“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.