SCHEMBL1126744

SCHEMBL1126744

CCOC(=O)n1cc(-c2ccccc2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 3/20 0.45
TSHR P16473 2/20 0.45
KDM4E B2RXH2 3/20 0.43
GAA P10253 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
BCHE P06276 1/20 0.43
LMNA P02545 3/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
CYP1A2 P05177 2/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL1127344 0.85 MEN1 (0.42) ALDH1A1SMN1; SMN2HPGDKDM4ENPC1
SCHEMBL1126957 0.78 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TSHRKDM4EGAA
Biphenyl SCHEMBL5571790 0.73 TSHR (0.54) ALDH1A1SMN1; SMN2HPGDTSHRKDM4E
SCHEMBL17139799 0.73 LPO (0.46) ALDH1A1SMN1; SMN2HPGDKDM4EGAA
SCHEMBL6480433 0.72 MAPT (0.48) ALDH1A1SMN1; SMN2HPGDTSHRKDM4E
SCHEMBL1126661 0.72 P2RY12 (0.51) ALDH1A1SMN1; SMN2HPGDTSHRKDM4E
SCHEMBL1126839 0.71 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HPGDTSHRKDM4E
Biphenyl SCHEMBL3177698 0.71 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HPGDTSHRKDM4E
SCHEMBL2806317 0.71 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2HPGDTSHRKDM4E
SCHEMBL5415657 0.71 F2RL3 (0.54) ALDH1A1SMN1; SMN2HPGDKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111606888-B Pyrrole derivative and preparation method and application thereof 中国药科大学 2023-08-18 CN disclosed
CN-111606888-A Pyrrole derivative and preparation method and application thereof 中国药科大学 2020-09-01 CN disclosed
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US disclosed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 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 (2 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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885SMN1; SMN2 2831/4885HPGD 2971/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885SMN1; SMN2 2831/4885HPGD 2971/4885

“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.