SCHEMBL1988028

SCHEMBL1988028

N#CCCn1cccc1C(=O)C(=O)Nc1ccc2c(c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.49
NPC1 O15118 9/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 5/20 0.45
POLB P06746 4/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 7/20 0.45
LMNA P02545 4/20 0.45
TP53 P04637 1/20 0.44
ALDH1A1 P00352 5/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL1126833 0.80 RAB9A (0.46) RAB9ANPC1SMN1; SMN2KMT2APOLB
SCHEMBL179084 0.71 NPC1 (0.79) RAB9ANPC1SMN1; SMN2KMT2APOLB
SCHEMBL1990284 0.68 CNR2 (0.47) SMN1; SMN2KMT2APOLBMEN1MAPT
SCHEMBL25392281 0.67 KMT2A (0.39) SMN1; SMN2KMT2APOLBMEN1MAPT
SCHEMBL11022537 0.67 LMNA (0.46) SMN1; SMN2KMT2AMEN1MAPTLMNA
SCHEMBL8809159 0.66 POLB (0.54) RAB9ANPC1SMN1; SMN2KMT2APOLB
SCHEMBL8810370 0.66 POLB (0.54) RAB9ANPC1SMN1; SMN2KMT2APOLB
SCHEMBL25393583 0.65 SMN1; SMN2 (0.41) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL107421 0.65 RAB9A (1.00) RAB9ANPC1SMN1; SMN2KMT2APOLB
SCHEMBL179086 0.64 SMN1; SMN2 (0.77) RAB9ANPC1SMN1; SMN2KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US claimed
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 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 (2 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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 RAB9A 729/4885NPC1 491/4885SMN1; SMN2 2831/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 RAB9A 729/4885NPC1 491/4885SMN1; SMN2 2831/4885

“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.