SCHEMBL3584631

SCHEMBL3584631

COc1ccc(Cn2c(C)c(C)c3nccc(N(Cc4ccc(F)cc4)C(=O)OC(C)(C)C)c32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 3/20 0.40
TBXA2R P21731 2/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 4/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 2/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 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 SCHEMBL3584628 0.99 MEN1 (0.42) MEN1KMT2AMAPTTBXA2RTP53
SCHEMBL3588704 0.92 ALDH1A1 (0.35) MEN1KMT2AMAPTALDH1A1THRB
Hydrochloric Acid SCHEMBL3588700 0.91 ALDH1A1 (0.34) MEN1KMT2AMAPTALDH1A1THRB
SCHEMBL3582540 0.91 MCL1 (0.38) MEN1KMT2AMAPTTP53ALDH1A1
SCHEMBL3583197 0.91 LMNA (0.41) MEN1KMT2AMAPTTP53ALDH1A1
Hydrochloric Acid SCHEMBL3582539 0.90 MCL1 (0.40) MEN1KMT2AMAPTTP53ALDH1A1
Hydrochloric Acid SCHEMBL3583196 0.90 LMNA (0.41) MAPTTP53ALDH1A1LMNAHPGD
SCHEMBL3588530 0.87 MEN1 (0.36) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL3588212 0.87 MAPT (0.36) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL3588528 0.87 MEN1 (0.35) MEN1KMT2AMAPTALDH1A1POLB

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 MEN1 2718/4885KMT2A 3542/4885MAPT 3810/4885

“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.