SCHEMBL1990361

SCHEMBL1990361

Cc1cc(-c2ccccc2)c(C(=O)C(=O)Nc2ccc(N3CCN(c4ccccn4)CC3)c(F)c2)n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPY2R P49146 4/20 0.43
MAPT P10636 4/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 3/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MALT1 Q9UDY8 1/20 0.42
MTTP P55157 1/20 0.41
THRB P10828 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
SCHEMBL30234815 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EDRD2DRD4DRD3
SCHEMBL1992485 0.87 ALDH1A1 (0.48) ALDH1A1KDM4EDRD2DRD4DRD3
SCHEMBL30235329 0.87 ALDH1A1 (0.48) ALDH1A1KDM4EDRD2DRD4DRD3
SCHEMBL1127172 0.86 NPY2R (0.45) ALDH1A1KDM4EMEN1KMT2ANPY2R
SCHEMBL30234914 0.84 POLB (0.45) ALDH1A1KDM4EDRD2DRD4DRD3
SCHEMBL1127042 0.84 POLB (0.45) ALDH1A1KDM4EDRD2DRD4DRD3
SCHEMBL1126788 0.83 KDM4E (0.46) ALDH1A1KDM4EMEN1KMT2ANPY2R
SCHEMBL23488093 0.81 DRD2 (0.36) ALDH1A1KDM4EDRD2DRD4DRD3
SCHEMBL17767339 0.79 GRM5 (0.36) ALDH1A1NPY2RMAPTNPC1RAB9A
SCHEMBL30234567 0.79 GRM5 (0.36) ALDH1A1NPY2RMAPTNPC1RAB9A

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 22 patents — showing the first 20. 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
US-11065228-B2 Antifungal agents F2G LIMITED (GB) 2021-07-20 US disclosed
US-20200179340-A1 ANTIFUNGAL AGENTS F2G LTD (GB) 2020-06-11 US disclosed
CN-111096967-A Antifungal agent F2G有限公司 2020-05-05 CN disclosed
US-10596150-B2 Antifungal agents F2G LIMITED (GB) 2020-03-24 US disclosed
US-20190314333-A1 ANTIFUNGAL AGENTS F2G LTD (GB) 2019-10-17 US disclosed
US-10201524-B2 Antifungal agents F2G LIMITED (GB) 2019-02-12 US disclosed
EP-3415511-A1 ANTIFUNGAL AGENTS F2G Limited (GB) 2018-12-19 EP disclosed
EP-3221308-B1 ANTIFUNGAL AGENTS F2G LTD (GB) 2018-09-19 EP disclosed
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
WO-2016079536-A1 ANTIFUNGAL AGENTS F2G LIMITED (GB) 2016-05-26 WO 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 (7 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-20200179340-A1 ANTIFUNGAL AGENTS DPM1, AADAC, PIK3C3 ALDH1A1 1484/4885KDM4E 746/4885DRD2 1530/4885
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885KDM4E 1706/4885DRD2 2160/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885KDM4E 1706/4885DRD2 2160/4885
US-11065228-B2 Antifungal agents DPM1, AADAC, PIK3C3 ALDH1A1 1484/4885KDM4E 746/4885DRD2 1530/4885
US-20190314333-A1 ANTIFUNGAL AGENTS DPM1, AADAC, PIK3C3 ALDH1A1 1484/4885KDM4E 746/4885DRD2 1530/4885
US-10201524-B2 Antifungal agents DPM1, AADAC, PIK3C3 ALDH1A1 1484/4885KDM4E 746/4885DRD2 1530/4885
US-10596150-B2 Antifungal agents DPM1, AADAC, PIK3C3 ALDH1A1 1484/4885KDM4E 746/4885DRD2 1530/4885

“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.