SCHEMBL2864474

SCHEMBL2864474

COc1cc2c(C(=O)O)c(CSc3ccccc3)n(-c3ccccc3)c2cc1Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.61
KMT2A Q03164 8/20 0.61
MEN1 O00255 7/20 0.61
SMN1; SMN2 Q16637 4/20 0.59
LMNA P02545 6/20 0.57
L3MBTL1 Q9Y468 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPSR1 Q6W5P4 4/20 0.52
POLB P06746 3/20 0.50
HTT P42858 2/20 0.50
MITF O75030 1/20 0.50
MAPT P10636 5/20 0.49
GPR55 Q9Y2T6 2/20 0.49
KDM4E B2RXH2 4/20 0.45
ATM Q13315 1/20 0.45
SLC37A4 O43826 1/20 0.42
TDP1 Q9NUW8 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
Ether SCHEMBL2857743 0.83 KMT2A (0.70) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL2857744 0.77 KMT2A (0.70) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL6527378 0.74 KMT2A (0.62) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL27949437 0.74 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL16244880 0.73 ALDH1A1 (0.74) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL27600510 0.73 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL21496376 0.72 ALDH1A1 (0.82) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL21494140 0.72 ALDH1A1 (0.80) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL14158941 0.70 KMT2A (1.00) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL6524004 0.68 KMT2A (0.60) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA

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-2213660-B1 5-SUBSTITUTED INDOL-3-CARBOXYLIC ACID DERIVATIVES EXHIBITING ANTIVIRAL ACTIVITY A METHOD FOR THE PRODUCTION AND USE THEREOF RES AND DEV COMPANY MEDBIOPHARM LTD (RU) 2012-12-12 EP disclosed
US-20110065919-A1 5-Substituted Indol-3-Carboxylic Acid Derivatives Exhibiting Antiviral Activity a Method for the Production and Use Thereof OOO "BINATEKH" (RU) 2011-03-17 US disclosed
EP-2213660-A1 5-SUBSTITUTED INDOL-3-CARBOXYLIC ACID DERIVATIVES EXHIBITING ANTIVIRAL ACTIVITY A METHOD FOR THE PRODUCTION AND USE THEREOF Obschestvo S Ogranichennoy Otvetstvennostju "Binatekh" (RU) 2010-08-04 EP 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-20110065919-A1 5-Substituted Indol-3-Carboxylic Acid Derivatives Exhibiting Antiviral Activity a Method for the Production and Use Thereof CBR3, IFNAR1, SIGMAR1 ALDH1A1 2627/4885KMT2A 4466/4885MEN1 4185/4885

“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.