SCHEMBL1126758

SCHEMBL1126758

N#CCCCCn1ccc(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
LTB4R Q15722 1/20 0.39
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
RAB9A P51151 1/20 0.35
CNR2 P34972 1/20 0.34

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
Biphenyl SCHEMBL27929421 0.74 ALDH1A1 (0.47) LTB4RKDM4EMAPTALDH1A1LMNA
SCHEMBL1126872 0.72 CA12 (0.41) CA2CA9CA12CA1KDM4E
SCHEMBL536616 0.70 MAPT (0.45) CA2CA9CA12CA1KDM4E
Biphenyl SCHEMBL9561058 0.70 TSHR (0.52) LTB4RALDH1A1SMN1; SMN2
SCHEMBL537352 0.69 MAPT (0.43) CA2CA9CA12CA1KDM4E
SCHEMBL536329 0.69 MAPT (0.43) CA2CA9CA12CA1KDM4E
SCHEMBL8103982 0.69 JAK2 (0.46) LTB4RMAPTALDH1A1LMNAMEN1
SCHEMBL1126768 0.68 HTR2A (0.41) MAPTLMNA
SCHEMBL12605596 0.67 ALDH1A1 (0.40) KDM4EMAPTALDH1A1HPGDKMT2A
Biphenyl SCHEMBL27379430 0.67 TSHR (0.61) LTB4RALDH1A1HPGDSMN1; SMN2

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 9 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
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 CA2 2579/4885CA9 2167/4885CA12 4164/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 CA2 2579/4885CA9 2167/4885CA12 4164/4885

“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.