SCHEMBL3558558

SCHEMBL3558558

N#Cc1ccc(OCCCN2CCC(CCCOc3ccc(C#N)c(F)c3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.56
MEN1 O00255 7/20 0.55
KMT2A Q03164 2/20 0.55
HRH3 Q9Y5N1 9/20 0.55
HRH2 P25021 7/20 0.55
HRH1 P35367 7/20 0.55

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
SCHEMBL3559203 1.00 SIGMAR1 (0.56) SIGMAR1MEN1KMT2AHRH3HRH2
SCHEMBL3564647 0.96 MEN1 (0.48) SIGMAR1MEN1KMT2AHRH3HRH2
SCHEMBL2335855 0.88 HRH3 (0.68) SIGMAR1MEN1HRH3HRH2HRH1
SCHEMBL1723767 0.84 HRH3 (0.54) SIGMAR1HRH3HRH2HRH1
SCHEMBL1714467 0.83 HRH3 (0.68) SIGMAR1MEN1HRH3HRH2HRH1
SCHEMBL3562862 0.81 HRH3 (0.62) SIGMAR1MEN1KMT2AHRH3HRH2
SCHEMBL3564027 0.81 CHEK1 (0.50)
SCHEMBL7246784 0.81 HRH3 (0.63) HRH3HRH2HRH1
Water SCHEMBL2903086 0.81 HRH3 (0.66) SIGMAR1MEN1KMT2AHRH3HRH2
SCHEMBL3560997 0.81 HRH3 (0.66) SIGMAR1MEN1KMT2AHRH3HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993603-B2 Pharmaceutical composition and method using antifungal agent in combination TOYAMA CHEMICAL CO., LTD. (JP) 2015-03-31 US disclosed
US-8993603-B2 Pharmaceutical composition and method using antifungal agent in combination TOYAMA CHEMICAL CO., LTD. (JP) 2015-03-31 US disclosed
EP-1767526-B1 ARYLAMIDINE DERIVATIVE, SALT THEREOF AND ANTIFUNGAL CONTAINING THESE TOYAMA CHEMICAL CO LTD (JP) 2012-10-24 EP disclosed
EP-1767526-B1 ARYLAMIDINE DERIVATIVE, SALT THEREOF AND ANTIFUNGAL CONTAINING THESE TOYAMA CHEMICAL CO LTD (JP) 2012-10-24 EP disclosed
US-7700623-B2 Arylamidine derivative, salt thereof, and antifungal containing these TOYAMA CHEMICAL CO., LTD. (JP) 2010-04-20 US disclosed
US-7700623-B2 Arylamidine derivative, salt thereof, and antifungal containing these TOYAMA CHEMICAL CO., LTD. (JP) 2010-04-20 US disclosed
US-20090087480-A1 PHARMACEUTICAL COMPOSITION AND METHOD USING ANTIFUNGAL AGENT IN COMBINATION TOYAMA CHEMICAL CO., LTD. (JP) 2009-04-02 US disclosed
US-20090087480-A1 PHARMACEUTICAL COMPOSITION AND METHOD USING ANTIFUNGAL AGENT IN COMBINATION TOYAMA CHEMICAL CO., LTD. (JP) 2009-04-02 US disclosed
US-20080319016-A1 Novel Arylamidine Derivative, Salt Thereof, and Antifungal Containing These TOYAMA CHEMICAL CO., LTD. (JP) 2008-12-25 US disclosed
US-20080319016-A1 Novel Arylamidine Derivative, Salt Thereof, and Antifungal Containing These TOYAMA CHEMICAL CO., LTD. (JP) 2008-12-25 US disclosed
EP-1867332-A1 PHARMACEUTICAL COMPOSITION AND METHOD USING ANTIFUNGAL AGENT IN COMBINATION TOYAMA CHEMICAL CO., LTD. (JP) 2007-12-19 EP disclosed
EP-1767526-A1 NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF, AND ANTIFUNGAL CONTAINING THESE TOYAMA CHEMICAL CO., LTD. (JP) 2007-03-28 EP disclosed
EP-1767526-A1 NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF, AND ANTIFUNGAL CONTAINING THESE TOYAMA CHEMICAL CO., LTD. (JP) 2007-03-28 EP 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-20090087480-A1 PHARMACEUTICAL COMPOSITION AND METHOD USING ANTIFUNGAL AGENT IN COMBINATION PIK3C3, ARSA, ACR SIGMAR1 2443/4885MEN1 1261/4885KMT2A 3740/4885
US-20080319016-A1 Novel Arylamidine Derivative, Salt Thereof, and Antifungal Containing These NAT1, ERG28, SLC7A1 SIGMAR1 1661/4885MEN1 664/4885KMT2A 743/4885

“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.