SCHEMBL1992485

SCHEMBL1992485

Cc1cc(-c2ccccc2)c(C(=O)C(=O)Nc2ccc(N3CCN(c4ccccn4)CC3)cc2)n1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 4/20 0.48
MAPT P10636 4/20 0.48
THRB P10828 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 3/20 0.44
LMNA P02545 2/20 0.44
DRD2 P14416 4/20 0.44
DRD3 P35462 4/20 0.44
DRD4 P21917 3/20 0.44
GAA P10253 1/20 0.44
PANK3 Q9H999 1/20 0.44
HTR1A P08908 3/20 0.43
HTR2A P28223 3/20 0.43
HTR2C P28335 2/20 0.43
HTR7 P34969 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GFER P55789 1/20 0.43
MAPK1 P28482 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
SCHEMBL30235329 1.00 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTTHRBNPSR1
SCHEMBL30235338 0.91 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTTHRBNPSR1
SCHEMBL1993111 0.91 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTTHRBNPSR1
SCHEMBL1989407 0.89 PANK3 (0.44) ALDH1A1KDM4EMAPTGAAPANK3
SCHEMBL30235095 0.88 KCNH2 (0.44) ALDH1A1KDM4EMAPTNPSR1TSHR
SCHEMBL1991472 0.88 KCNH2 (0.44) ALDH1A1KDM4EMAPTNPSR1TSHR
SCHEMBL1997118 0.88 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTTHRBNPSR1
SCHEMBL1992803 0.88 REV1 (0.44) ALDH1A1KDM4EMAPTTHRBNPSR1
SCHEMBL15161945 0.87 HTR1A (0.44) ALDH1A1KDM4EMAPTTHRBNPSR1
SCHEMBL1990361 0.87 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTTHRBNPSR1

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 746/4885MAPT 3096/4885
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885KDM4E 1706/4885MAPT 1696/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885KDM4E 1706/4885MAPT 1696/4885
US-11065228-B2 Antifungal agents DPM1, AADAC, PIK3C3 ALDH1A1 1484/4885KDM4E 746/4885MAPT 3096/4885
US-20190314333-A1 ANTIFUNGAL AGENTS DPM1, AADAC, PIK3C3 ALDH1A1 1484/4885KDM4E 746/4885MAPT 3096/4885
US-10201524-B2 Antifungal agents DPM1, AADAC, PIK3C3 ALDH1A1 1484/4885KDM4E 746/4885MAPT 3096/4885
US-10596150-B2 Antifungal agents DPM1, AADAC, PIK3C3 ALDH1A1 1484/4885KDM4E 746/4885MAPT 3096/4885

“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.