SCHEMBL14745010

SCHEMBL14745010

CCC/C(=N\C(C)(C)C)c1ccc2c(ccn2C)c1OCc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
SRD5A2 P31213 1/20 0.31
BRD4 O60885 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPT P10636 1/20 0.30
SENP5 Q96HI0 1/20 0.30
SENP2 Q9HC62 1/20 0.30
SENP1 Q9P0U3 1/20 0.30
MTNR1A P48039 1/20 0.30

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
SCHEMBL14745011 1.00 TSHR (0.33) TSHRALOX12SRD5A2BRD4MEN1
SCHEMBL14745954 0.81 LMNA (0.40) SRD5A2BRD4MEN1KMT2AALDH1A1
SCHEMBL14744993 0.75 LMNA (0.49) TSHRSRD5A2BRD4MEN1KMT2A
SCHEMBL8913156 0.72 MEN1 (0.42) BRD4MEN1KMT2ANPC1RAB9A
SCHEMBL28151566 0.72 MEN1 (0.42) SRD5A2BRD4MEN1KMT2ANPC1
SCHEMBL14745549 0.72 KDM4E (0.38) TSHRSRD5A2BRD4MEN1KMT2A
SCHEMBL9315204 0.72 HTR1A (0.43) MEN1KMT2AALDH1A1HPGDHTT
SCHEMBL14744889 0.71 MAPT (0.37) TSHRSRD5A2BRD4MEN1KMT2A
SCHEMBL27972960 0.70 MTNR1A (0.54) MEN1KMT2AALDH1A1L3MBTL1MTNR1A
SCHEMBL14745181 0.69 SMN1; SMN2 (0.53) TSHRALOX12KMT2AALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 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 (1 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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP TSHR 4837/4885ALOX12 3028/4885SRD5A2 4338/4885

“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.