SCHEMBL1992659

SCHEMBL1992659

O=C(OCc1ccccc1)N1CCC(c2nnn[nH]2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
CYP2C19 P33261 1/20 0.56
JAK2 O60674 4/20 0.52
JAK1 P23458 4/20 0.52
TYK2 P29597 3/20 0.52
JAK3 P52333 2/20 0.52
GRIN2B Q13224 9/20 0.51
CYP2D6 P10635 4/20 0.50
CYP2C9 P11712 4/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
USP30 Q70CQ3 1/20 0.50
HTT P42858 1/20 0.48
CYP3A4 P08684 3/20 0.47
ENPP2 Q13822 1/20 0.45

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
SCHEMBL6194819 0.93 USP30 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19JAK2
SCHEMBL2324285 0.93 USP30 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19JAK2
SCHEMBL4513756 0.88 JAK2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19JAK2
SCHEMBL27035789 0.81 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19JAK2
SCHEMBL25291831 0.81 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19JAK2
SCHEMBL672317 0.80 TMEM97 (0.49) SMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL13246605 0.80 TMEM97 (0.49) SMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL4521587 0.80 TMEM97 (0.49) SMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL4035554 0.79 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ACYP2C19JAK2
SCHEMBL18005739 0.78 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19JAK2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3929203-A1 DERIVATIVES OF AMPHOTERICIN B Sfunga Therapeutics, Inc. (US) 2021-12-29 EP disclosed
EP-3283171-B1 DERIVATIVES OF AMPHOTERICIN B SFUNGA THERAPEUTICS INC (US) 2021-05-26 EP disclosed
US-10882883-B2 Derivatives of amphotericin B SFUNGA THERAPEUTICS, INC. (US) 2021-01-05 US disclosed
US-20200262858-A1 DERIVATIVES OF AMPHOTERICIN B ELION THERAPEUTICS, INC. 2020-08-20 US disclosed
US-9957290-B2 Derivatives of amphotericin B SFUNGA THERAPEUTICS, INC. (US) 2018-05-01 US disclosed
US-9957290-B2 Derivatives of amphotericin B SFUNGA THERAPEUTICS, INC. (US) 2018-05-01 US disclosed
EP-2791139-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS Dr Reddys Laboratories Ltd (IN) 2017-11-08 EP disclosed
EP-2791139-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS Dr Reddys Laboratories Ltd (IN) 2017-11-08 EP disclosed
US-20160304548-A1 Derivatives of Amphotericin B ELION THERAPEUTICS, INC. 2016-10-20 US disclosed
US-20160304548-A1 Derivatives of Amphotericin B ELION THERAPEUTICS, INC. 2016-10-20 US disclosed
US-20150005280-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-01-01 US disclosed
EP-2791139-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS Dr. Reddy's Laboratories Ltd. (IN) 2014-10-22 EP disclosed
WO-2013088257-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2013-06-20 WO disclosed
WO-2013088257-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2013-06-20 WO disclosed
US-8399681-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 US disclosed
US-20120302544-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS BIGNAN GILLES (US) 2012-11-29 US disclosed
EP-2513096-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-A MODULATORS Janssen Pharmaceutica, N.V. (BE) 2012-10-24 EP disclosed
US-8263781-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 US disclosed
WO-2011075565-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-Aα MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 WO 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 (6 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-20150005280-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS NTRK1, MUSK, NTRK3 SMN1; SMN2 1521/4885NPC1 3182/4885RAB9A 1861/4885
US-20160304548-A1 Derivatives of Amphotericin B C9, ERG28, AMPD3 SMN1; SMN2 4528/4885NPC1 173/4885RAB9A 1090/4885
US-20120302544-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R SMN1; SMN2 3292/4885NPC1 3010/4885RAB9A 3063/4885
US-10882883-B2 Derivatives of amphotericin B C9, ERG28, AMPD3 SMN1; SMN2 4528/4885NPC1 173/4885RAB9A 1090/4885
US-20200262858-A1 DERIVATIVES OF AMPHOTERICIN B C9, ERG28, AMPD3 SMN1; SMN2 4528/4885NPC1 173/4885RAB9A 1090/4885
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R SMN1; SMN2 3292/4885NPC1 3010/4885RAB9A 3063/4885

“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.