SCHEMBL3560997

SCHEMBL3560997

N#Cc1ccc(OCCCN2CCC(CCCO)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.66
HRH2 P25021 6/20 0.66
HRH1 P35367 6/20 0.66
MEN1 O00255 8/20 0.61
SIGMAR1 Q99720 2/20 0.60
KMT2A Q03164 1/20 0.58
ACHE P22303 1/20 0.58

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
Water SCHEMBL2903086 1.00 HRH3 (0.66) HRH3HRH2HRH1MEN1SIGMAR1
SCHEMBL3562862 0.95 HRH3 (0.62) HRH3HRH2HRH1MEN1SIGMAR1
SCHEMBL2335855 0.92 HRH3 (0.68) HRH3HRH2HRH1MEN1SIGMAR1
SCHEMBL1714467 0.90 HRH3 (0.68) HRH3HRH2HRH1MEN1SIGMAR1
SCHEMBL1714617 0.84 HRH3 (0.61) HRH3HRH2HRH1MEN1SIGMAR1
SCHEMBL2899427 0.82 HRH3 (0.58) HRH3HRH2HRH1MEN1SIGMAR1
SCHEMBL7328846 0.81 HRH3 (0.61) HRH3HRH2HRH1MEN1SIGMAR1
SCHEMBL13403663 0.81 HRH3 (0.57) HRH3HRH2HRH1SIGMAR1ACHE
SCHEMBL13403667 0.81 HRH3 (0.54) HRH3HRH2HRH1MEN1SIGMAR1
SCHEMBL3560385 0.81 HRH3 (0.54) HRH3HRH2HRH1MEN1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536343-B2 Arylamidine derivative, salt thereof and antifungal agent containing those TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-17 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-20100016602-A1 NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF AND ANTIFUNGAL AGENT CONTAINING THOSE TOYAMA CHEMICAL CO., LTD. (JP) 2010-01-21 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-1967190-A1 NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF AND ANTIFUNGAL AGENT CONTAINING THOSE TOYAMA CHEMICAL CO., LTD. (JP) 2008-09-10 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-20100016602-A1 NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF AND ANTIFUNGAL AGENT CONTAINING THOSE ERG28, DPM1, NAT1 HRH3 202/4885HRH2 803/4885HRH1 662/4885
US-20080319016-A1 Novel Arylamidine Derivative, Salt Thereof, and Antifungal Containing These NAT1, ERG28, SLC7A1 HRH3 78/4885HRH2 251/4885HRH1 330/4885

“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.