SCHEMBL1337329

SCHEMBL1337329

CCCCOc1cccc(-c2cc(F)c(N)c(Cl)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP19A1 P11511 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TSHR P16473 1/20 0.46
DHODH Q02127 2/20 0.44
NR4A2 P43354 1/20 0.44
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
DHFR P00374 3/20 0.39
RPS6KA3 P51812 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 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
SCHEMBL29709289 1.00 SMN1; SMN2 (0.49) SMN1; SMN2CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL1337914 0.94 KDM4E (0.48) SMN1; SMN2CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL1336501 0.91 SMN1; SMN2 (0.54) SMN1; SMN2CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL1337828 0.88 TP53 (0.47) DHODHKMT2AKDM4EMEN1
SCHEMBL1336472 0.84 KDM4E (0.53) SMN1; SMN2CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL1336932 0.82 NR4A2 (0.44) DHODHNR4A2KMT2AMEN1
SCHEMBL1337509 0.81 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL1335619 0.81 ALDH1A1 (0.40) CYP2C9CYP2C19KMT2ARPS6KA3FFAR4
SCHEMBL197506 0.78 CYP19A1 (0.64) SMN1; SMN2CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL1335616 0.78 TP53 (0.54) KDM4E

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-20220387362-A1 COMPOSITIONS COMPRISING A DHODH INHIBITOR FOR THE TREATMENT OF ACUTE MYELOID LEUKEMIA RHIZEN PHARMACEUTICALS AG (CH) 2022-12-08 US disclosed
EP-4048251-A1 COMPOSITIONS COMPRISING A DHODH INHIBITOR FOR THE TREATMENT OF ACUTE MYELOID LEUKEMIA Rhizen Pharmaceuticals AG (CH) 2022-08-31 EP disclosed
CN-114828842-A Composition comprising DHODH inhibitor for the treatment of acute myeloid leukemia 理森制药股份公司 2022-07-29 CN disclosed
WO-2021079273-A1 COMPOSITIONS COMPRISING A DHODH INHIBITOR FOR THE TREATMENT OF ACUTE MYELOID LEUKEMIA RHIZEN PHARMACEUTICALS AG (CH) 2021-04-29 WO disclosed
US-9758474-B2 Immunomodulator and anti-inflammatory compounds INCOZEN THERAPEUTICS PVT. LTD. (IN) 2017-09-12 US disclosed
US-20140220050-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS INCOZEN THERAPEUTICS PVT. LTD. (CH) 2014-08-07 US disclosed
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS RHIZEN PHARMACEUTICALS SA (FR) 2011-11-10 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-20140220050-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR SMN1; SMN2 4665/4885CYP1A2 1449/4885CYP19A1 1334/4885
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR SMN1; SMN2 4665/4885CYP1A2 1449/4885CYP19A1 1334/4885
US-20220387362-A1 COMPOSITIONS COMPRISING A DHODH INHIBITOR FOR THE TREATMENT OF ACUTE MYELOID LEUKEMIA DHODH, FLT3, IDH3A SMN1; SMN2 4548/4885CYP1A2 1000/4885CYP19A1 1255/4885

“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.