SCHEMBL3147405

SCHEMBL3147405

[CH2]c1cccc(-c2cnco2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
MAP4K4 O95819 1/20 0.64
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
PTK2 Q05397 1/20 0.50
NOTUM Q6P988 1/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
HDAC4 P56524 1/20 0.44
KEAP1 Q14145 1/20 0.43
AAK1 Q2M2I8 1/20 0.42
PDK2 Q15119 1/20 0.40
LTA4H P09960 1/20 0.40
IL2 P60568 1/20 0.40
IMPDH2 P12268 1/20 0.40
ROCK2 O75116 1/20 0.39
BRAF P15056 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL2158739 0.86 KMT2A (0.75) MEN1KMT2AMAP4K4CYP11B1CYP11B2
SCHEMBL29808221 0.79 KMT2A (0.66) MEN1KMT2AMAP4K4CYP11B1CYP11B2
SCHEMBL9955698 0.78 MEN1 (0.64) MEN1KMT2AMAP4K4CYP11B1CYP11B2
SCHEMBL3510121 0.78 MEN1 (0.64) MEN1KMT2AMAP4K4CYP11B1CYP11B2
SCHEMBL658145 0.78 MAP4K4 (1.00) MEN1KMT2AMAP4K4CYP11B1CYP11B2
SCHEMBL7980113 0.78 MEN1 (0.64) MEN1KMT2AMAP4K4CYP11B1CYP11B2
SCHEMBL29722919 0.78 MAP4K4 (1.00) MEN1KMT2AMAP4K4CYP11B1CYP11B2
SCHEMBL4755701 0.78 MEN1 (1.00) MEN1KMT2AMAP4K4CYP11B1CYP11B2
SCHEMBL18394452 0.78 MEN1 (0.64) MEN1KMT2AMAP4K4CYP11B1CYP11B2
SCHEMBL16159090 0.76 CYP11B1 (0.77) MEN1KMT2AMAP4K4CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2233493-A1 Macrolides Pfizer Products Inc. (US) 2010-09-29 EP disclosed
EP-1836211-B1 MACROLIDES PFIZER PROD INC (US) 2010-03-03 EP disclosed
US-7462600-B2 Macrolides PFIZER INC (US) 2008-12-09 US disclosed
US-20060135447-A1 Macrolides CHUPAK LOUIS S 2006-06-22 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-20060135447-A1 Macrolides LCAT, NOP2, HDAC6 MEN1 3829/4885KMT2A 2668/4885MAP4K4 4070/4885

“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.