SCHEMBL3408832

SCHEMBL3408832

O=C(O)CCC(=O)Nc1ccc(I)cn1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.68
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
BCHE P06276 1/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.45
DEGS1 O15121 2/20 0.44
GLA P06280 1/20 0.44
MAPK1 P28482 1/20 0.44
EGFR P00533 1/20 0.44
ERBB3 P21860 1/20 0.44
POLB P06746 1/20 0.44
CYP1A1 P04798 1/20 0.44
SHMT2 P34897 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
SCHEMBL3401213 0.83 TSHR (0.48) TSHRL3MBTL1SMN1; SMN2RAB9ANPC1
SCHEMBL4164891 0.83 RAB9A (0.50) TSHRL3MBTL1LMNASMN1; SMN2RAB9A
SCHEMBL29733653 0.81 TSHR (1.00) TSHRLMNASMN1; SMN2RAB9ANPC1
SCHEMBL28154099 0.81 TSHR (0.68) TSHRL3MBTL1LMNASMN1; SMN2RAB9A
SCHEMBL3403751 0.81 TSHR (0.68) TSHRL3MBTL1LMNASMN1; SMN2BCHE
SCHEMBL3396223 0.81 TSHR (1.00) TSHRLMNASMN1; SMN2RAB9ANPC1
SCHEMBL2952697 0.81 TSHR (0.69) TSHRL3MBTL1LMNASMN1; SMN2RAB9A
Iodomethane SCHEMBL27798273 0.80 TSHR (0.91) TSHRLMNASMN1; SMN2RAB9ANPC1
SCHEMBL16230884 0.80 TSHR (0.46) TSHRL3MBTL1LMNASMN1; SMN2RAB9A
SCHEMBL26653746 0.80 HSD17B10 (0.54) TSHRL3MBTL1LMNASMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273775-B2 Non-steroidal brassinosteroid mimetic VIB VZW (BE) 2012-09-25 US claimed
EP-2086322-B1 NON-STEROIDAL BRASSINOSTEROID MIMETIC VIB VZW (BE) 2010-12-01 EP claimed
US-20100152253-A1 NON-STEROIDAL BRASSINOSTEROID MIMETIC VIB VZW (BE) 2010-06-17 US claimed
EP-2086322-A1 NON-STEROIDAL BRASSINOSTEROID MIMETIC VIB VZW (BE) 2009-08-12 EP claimed
WO-2008049729-A1 NON-STEROIDAL BRASSINOSTEROID MIMETIC VIB VZW (BE) 2008-05-02 WO claimed
US-8642510-B2 Inhibitors for brassinosteroid signalling GMI-Gregor Mendel-Institut fuer Molekulare Pflanzenbiologie GmbH (AT) 2014-02-04 US disclosed
US-8273775-B2 Non-steroidal brassinosteroid mimetic VIB VZW (BE) 2012-09-25 US disclosed
EP-2247576-B1 INHIBITORS FOR BRASSINOSTEROID SIGNALLING GMI GREGOR MENDEL INST FUER MOLEKULARE PFLANZENBIOLOGIE GMBH (AT) 2012-08-08 EP disclosed
US-20100317526-A1 Inhibitors for Brassinosteroid Signalling GMI-GREGOR-MENDEL-INSTITUT FUER MOLEKULARE PFLANZENBIOLOGIE GMBH (AT) 2010-12-16 US disclosed
EP-2086322-B1 NON-STEROIDAL BRASSINOSTEROID MIMETIC VIB VZW (BE) 2010-12-01 EP disclosed
US-20100152253-A1 NON-STEROIDAL BRASSINOSTEROID MIMETIC VIB VZW (BE) 2010-06-17 US disclosed
EP-2098510-A1 Inhibitors for brassinosteroid signalling GMI - Gregor-Mendel-Institut für Molekulare Pflanzenbiologie GmbH (AT) 2009-09-09 EP disclosed
EP-2086322-A1 NON-STEROIDAL BRASSINOSTEROID MIMETIC VIB VZW (BE) 2009-08-12 EP disclosed
WO-2008049729-A1 NON-STEROIDAL BRASSINOSTEROID MIMETIC VIB VZW (BE) 2008-05-02 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 (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-20100317526-A1 Inhibitors for Brassinosteroid Signalling HRH4, HRH3, INSR TSHR 238/4885L3MBTL1 2049/4885LMNA 4276/4885
US-20100152253-A1 NON-STEROIDAL BRASSINOSTEROID MIMETIC BRI3BP, BRD1, NR1I2 TSHR 842/4885L3MBTL1 738/4885LMNA 4172/4885

“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.