SCHEMBL3564647

SCHEMBL3564647

N#Cc1ccc(OCCCC2CCN(CCCOc3ccc(C#N)c(F)c3)CC2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
TRPV4 Q9HBA0 1/20 0.48
HRH3 Q9Y5N1 7/20 0.47
HRH1 P35367 6/20 0.47
HRH2 P25021 5/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
ACHE P22303 1/20 0.44
CCR3 P51677 1/20 0.44

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 0.96 SIGMAR1 (0.56) MEN1KMT2ASIGMAR1HRH3HRH1
SCHEMBL3558558 0.96 SIGMAR1 (0.56) MEN1KMT2ASIGMAR1HRH3HRH1
SCHEMBL1723767 0.88 HRH3 (0.54) SIGMAR1HRH3HRH1HRH2
SCHEMBL491704 0.84 HRH3 (0.64) MEN1KMT2AHRH3HRH1HRH2
SCHEMBL7246784 0.82 HRH3 (0.63) HRH3HRH1HRH2
SCHEMBL9590450 0.82 TRPV4 (0.43) TRPV4
SCHEMBL9591627 0.82 TRPV4 (0.43) TRPV4
SCHEMBL9345940 0.82 TRPV4 (0.43) TRPV4HRH3HRH1HRH2
SCHEMBL9346410 0.82 TRPV4 (0.43) TRPV4
SCHEMBL3564027 0.82 CHEK1 (0.50) TRPV4SLC6A2SLC6A4

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 11 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
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

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 MEN1 1261/4885KMT2A 3740/4885SIGMAR1 2443/4885
US-20080319016-A1 Novel Arylamidine Derivative, Salt Thereof, and Antifungal Containing These NAT1, ERG28, SLC7A1 MEN1 664/4885KMT2A 743/4885SIGMAR1 1661/4885

“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.