SCHEMBL1990597

SCHEMBL1990597

Cc1cc(-c2ccccc2)cn1Cc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.50
ALDH1A1 P00352 3/20 0.48
CYP2E1 P05181 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TRPV6 Q9H1D0 1/20 0.44
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
KDM4E B2RXH2 2/20 0.42
DHPS P49366 1/20 0.41
GRIN2B Q13224 1/20 0.41

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
SCHEMBL1126628 0.85 CCNC (0.46) L3MBTL1CCNCCDK8CYP11B1CYP11B2
SCHEMBL6890107 0.84 AR (0.58) CYP3A4CYP11B1CYP11B2GRIN2B
SCHEMBL1126605 0.84 CCNC (0.53) P2RX7L3MBTL1CCNCCDK8CYP11B1
SCHEMBL1126585 0.71 BRD4 (0.42) ALDH1A1L3MBTL1KDM4EGRIN2BSMN1; SMN2
SCHEMBL5440921 0.69 ALDH1A1 (0.58) ALDH1A1CYP3A4CYP2C19KDM4ELMNA
SCHEMBL31596135 0.69 HDAC8 (0.41) P2RX7ALDH1A1CYP2D6L3MBTL1CYP11B1
SCHEMBL29114961 0.69 CYP2E1 (0.57) P2RX7ALDH1A1CYP2E1CYP3A4CYP2D6
SCHEMBL29772153 0.69 CYP2E1 (0.57) P2RX7ALDH1A1CYP2E1CYP3A4CYP2D6
SCHEMBL1126929 0.68 TYR (0.46) ALDH1A1KDM4E
SCHEMBL22180828 0.68 LMNA (0.60) P2RX7ALDH1A1CYP2E1CYP3A4CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 P2RX7 2966/4885ALDH1A1 219/4885CYP2E1 184/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 P2RX7 2966/4885ALDH1A1 219/4885CYP2E1 184/4885

“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.