SCHEMBL3583197

SCHEMBL3583197

COc1cccc(Cn2c(C)c(C)c3nccc(N(Cc4ccc(F)cc4)C(=O)OC(C)(C)C)c32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
SLC2A1 P11166 2/20 0.39
SLC2A4 P14672 2/20 0.39
SLC2A8 Q9NY64 1/20 0.39
CYP1A2 P05177 5/20 0.37
CYP3A4 P08684 5/20 0.37
CYP2C9 P11712 4/20 0.37
CYP2C19 P33261 4/20 0.37
CYP2D6 P10635 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36

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
Hydrochloric Acid SCHEMBL3583196 0.99 LMNA (0.41) LMNAALDH1A1KDM4EHPGDSLC2A1
SCHEMBL3588212 0.92 MAPT (0.36) LMNAALDH1A1KDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3588209 0.91 MCL1 (0.37) LMNAALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL3594641 0.91 MAPK1 (0.36) LMNAALDH1A1KDM4EHPGDNPSR1
SCHEMBL3584631 0.91 MEN1 (0.42) LMNAALDH1A1KDM4EHPGDSLC2A1
Hydrochloric Acid SCHEMBL3594638 0.90 MCL1 (0.36) LMNAALDH1A1KDM4EHPGDNPSR1
Hydrochloric Acid SCHEMBL3584628 0.90 MEN1 (0.42) LMNAALDH1A1KDM4EHPGDSLC2A1
SCHEMBL3582540 0.89 MCL1 (0.38) LMNAALDH1A1KDM4ENPSR1MAPT
Hydrochloric Acid SCHEMBL3582539 0.88 MCL1 (0.40) LMNAALDH1A1KDM4ENPSR1MAPT
SCHEMBL3588704 0.87 ALDH1A1 (0.35) ALDH1A1NPSR1MAPTTHRBMEN1

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
EP-1784403-B1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2013-07-17 EP claimed
US-7642269-B2 Pyrrolo[3,2-B]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2010-01-05 US claimed
US-20070213358-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2007-09-13 US claimed

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-20070213358-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, PPOX LMNA 4407/4885ALDH1A1 1933/4885KDM4E 1084/4885

“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.