SCHEMBL1126720

SCHEMBL1126720

Cc1cc(-c2ccccc2)c(C(=O)C(=O)Nc2cccc3ccncc23)n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.44
CYP2C9 P11712 1/20 0.41
TRPV1 Q8NER1 4/20 0.40
NPY5R Q15761 1/20 0.40
NTRK1 P04629 1/20 0.39
NTRK3 Q16288 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
CDK5 Q00535 2/20 0.38
CDK1 P06493 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL1127303 0.88 CHRNB2 (0.50) CYP2C9NTRK1NTRK3CHRNB2CHRNB4
SCHEMBL1126440 0.86 ALDH1A1 (0.46) TNFCYP2C9NPY5RCHRNB2CHRNB4
SCHEMBL1126896 0.81 RAB9A (0.49) SMN1; SMN2ALDH1A1KMT2AMAPTMEN1
SCHEMBL1127233 0.80 MEN1 (0.50) NPY5RSMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL1126812 0.79 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KMT2AMEN1MAPK1
SCHEMBL1126783 0.79 RAB9A (0.42) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL1126827 0.79 ALDH1A1 (0.46) TRPV1NPY5RSMN1; SMN2ALDH1A1KMT2A
SCHEMBL1989265 0.74 MAPK1 (0.46) SMN1; SMN2ALDH1A1KMT2AMEN1MAPK1
SCHEMBL1127545 0.74 RAB9A (0.50) TRPV1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL1126931 0.74 RAB9A (0.46) SMN1; SMN2ALDH1A1KMT2AMAPTCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US claimed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US claimed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US claimed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US claimed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP claimed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO 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-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP 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
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO 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 TNF 1691/4885CYP2C9 328/4885TRPV1 3569/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 TNF 1691/4885CYP2C9 328/4885TRPV1 3569/4885

“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.