SCHEMBL3758733

SCHEMBL3758733

C#CC(O)c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.42
CYP3A4 P08684 4/20 0.41
CYP19A1 P11511 3/20 0.41
CYP17A1 P05093 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CYP2C19 P33261 3/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NAPRT Q6XQN6 1/20 0.36
TSHR P16473 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32

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
SCHEMBL29184903 0.82 ESR1 (0.46) TSHRESR1ESR2
SCHEMBL28932553 0.76 TSHR (0.60) CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL235417 0.75 TSHR (0.58) KDM4ETSHRLMNACYP2D6
SCHEMBL236726 0.75 TSHR (0.58) KDM4ETSHRLMNACYP2D6
SCHEMBL77244 0.75 TSHR (0.58) KDM4ETSHRLMNACYP2D6
SCHEMBL30708000 0.74 SMN1; SMN2 (0.55) CYP19A1CYP17A1SLC6A2SLC6A4SLC6A3
SCHEMBL3211055 0.74 SMN1; SMN2 (0.55) CYP19A1CYP17A1SLC6A2SLC6A4SLC6A3
SCHEMBL6962580 0.73 ESR1 (0.62) CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL132554 0.71 AOC3 (0.38) HDAC8KDM4ETSHRESR1ESR2
SCHEMBL6957145 0.71 MAPT (0.38) CYP3A4CYP19A1KDM4EHSD17B10TSHR

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
EP-3891148-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2021-10-13 EP disclosed
WO-2020114494-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-06-11 WO disclosed
US-20140155381-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2014-06-05 US disclosed
US-20140155381-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2014-06-05 US disclosed
US-20140155381-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2014-06-05 US disclosed
EP-2736332-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2014-06-04 EP disclosed
WO-2013019653-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-02-07 WO disclosed
WO-2013019653-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-02-07 WO disclosed
US-20100298384-A1 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS DR. REDDY'S LABORATORIES LTD. (IN) 2010-11-25 US disclosed
WO-2008143649-A2 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS DR. REDDY'S LABORATORIES LIMITED (IN) 2008-11-27 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-20100298384-A1 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS OXA1L, MIF, VIP HDAC8 662/4885CYP3A4 836/4885CYP19A1 3781/4885
US-20140155381-A1 COMPOUNDS AND METHODS RORC, RORB, RORA HDAC8 422/4885CYP3A4 710/4885CYP19A1 410/4885

“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.