SCHEMBL7684022

SCHEMBL7684022

O=C(OCc1ccccc1)c1cc2cccnc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.52
POLB P06746 1/20 0.51
MMP2 P08253 4/20 0.50
MMP12 P39900 4/20 0.50
MMP9 P14780 3/20 0.50
MMP1 P03956 3/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
HRH4 Q9H3N8 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MAPT P10636 1/20 0.46
SLC6A2 P23975 1/20 0.45

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
SCHEMBL28569929 0.84 EGLN1 (0.55) EGLN1POLBMMP2MMP12MMP9
SCHEMBL832252 0.82 KDM4E (0.58) POLBMMP2KMT2ALMNAL3MBTL1
SCHEMBL22479192 0.81 MMP2 (0.47) POLBMMP2MMP12MMP9MMP1
SCHEMBL22479191 0.81 ABL1 (0.47) MMP2MMP12MMP9MMP1KMT2A
SCHEMBL3964905 0.79 IDO1 (0.61) MMP2MMP12MMP9MMP1KMT2A
SCHEMBL30741601 0.79 IDO1 (0.61) MMP2MMP12MMP9MMP1KMT2A
SCHEMBL31088687 0.79 HRH4 (0.57) HRH4HRH3CNR2DAO
SCHEMBL4271585 0.79 HRH4 (0.57) HRH4HRH3CNR2DAO
SCHEMBL7682150 0.78 LMNA (0.52) MMP2MMP12MMP9MMP1KMT2A
SCHEMBL27574695 0.78 IDO1 (0.60) MMP2MMP12MMP9MMP1KMT2A

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
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC. (US) 2011-12-22 US claimed
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
US-6380230-B1 FOR THERAPY OF DYSKINESIA, OBESITY, IRRITABLE BOWEL SYNDROME, DISEASES WHOSE TREATMENT REQUIRES STIMULATION OF THE CHOLECYSTOKININ CCK-A RECEPTORS SANOFI-SYNTHELABO (FR) 2002-04-30 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-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives SDHA, ALDH5A1, SDHB EGLN1 3135/4885POLB 1745/4885MMP2 4001/4885

“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.