SCHEMBL12027693

SCHEMBL12027693

COC(=O)c1cc(Cl)c2cc(C)c3cccnc3c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.47
CCR8 P51685 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 6/20 0.43
NQO2 P16083 2/20 0.43
BRD4 O60885 1/20 0.42
GPR35 Q9HC97 1/20 0.41
HIF1A Q16665 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
ALDH1A1 P00352 3/20 0.40
ALOX12 P18054 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SLC40A1 Q9NP59 1/20 0.40
CCR6 P51684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40

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
SCHEMBL2472484 0.87 NPC1 (0.45) CCR1CCR8L3MBTL1KDM4ENQO2
SCHEMBL3281565 0.79 NQO2 (0.48) L3MBTL1KDM4ENQO2GPR35MRGPRX4
SCHEMBL2471995 0.79 NQO2 (0.45) CCR1CCR8L3MBTL1KDM4ENQO2
SCHEMBL3282367 0.76 NQO2 (0.50) KDM4ENQO2GPR35MRGPRX4ALDH1A1
SCHEMBL12027699 0.74 CCR1 (0.51) CCR1CCR8L3MBTL1KDM4EBRD4
SCHEMBL11394387 0.74 NQO2 (0.46) KDM4ENQO2ALOX12GAACYP3A4
SCHEMBL27402174 0.73 NQO2 (0.52) KDM4ENQO2GPR35MRGPRX4ALDH1A1
SCHEMBL30905498 0.73 NQO2 (0.52) KDM4ENQO2GPR35MRGPRX4ALDH1A1
SCHEMBL2472400 0.73 NQO2 (0.44) CCR1CCR8L3MBTL1NQO2LMNA
SCHEMBL3281586 0.73 NQO2 (0.47) KDM4ENQO2GPR35MRGPRX4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373650-B1 TRIPLE SUBSTITUTED PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES OR CONDITIONS, OR CANCER NOSCIRA SA (ES) 2012-10-24 EP disclosed
US-20110306631-A1 TRIPLE SUBSTITUTED PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES OR CONDITIONS, OR CANCER NOSCIRA, S.A. (ES) 2011-12-15 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 (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-20110306631-A1 TRIPLE SUBSTITUTED PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES OR CONDITIONS, OR CANCER HTT, PFN1, PSEN1 CCR1 3349/4885CCR8 3644/4885L3MBTL1 3186/4885

“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.