SCHEMBL1458813

SCHEMBL1458813

O=Cc1ccccc1-c1c[nH]cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
XDH P47989 1/20 0.40
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRIM24 O15164 2/20 0.35
TRIM33 Q9UPN9 2/20 0.35
TSHR P16473 1/20 0.35
CYP2A6 P11509 1/20 0.34
IMPDH2 P12268 1/20 0.34
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33

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
SCHEMBL31662856 1.00 KMT2A (0.41) KMT2AMEN1LMNATHRBBLM
SCHEMBL3765766 0.80
SCHEMBL13517574 0.78 CA1 (0.46) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL13517572 0.78 CA1 (0.46) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL19868912 0.75 PARP1 (0.35)
SCHEMBL19044036 0.73 MIF (0.56) KMT2AMEN1ALDH1A1HPGDHTT
SCHEMBL26259398 0.72 MEN1 (0.33) KMT2AMEN1HTTSMN1; SMN2
SCHEMBL26259557 0.72 IKBKE (0.32) KMT2AMEN1HTT
SCHEMBL1501942 0.72 IDO1 (0.47) KMT2AMEN1TDP1ALDH1A1HPGD
SCHEMBL3859261 0.72 IDO1 (0.47) KMT2ALMNATDP1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112635804-A Alkaline anion exchange membrane for fuel cell and preparation method thereof 安徽知凸凸科技服务有限公司 2021-04-09 CN claimed
CN-112635804-A Alkaline anion exchange membrane for fuel cell and preparation method thereof 安徽知凸凸科技服务有限公司 2021-04-09 CN disclosed
US-10800780-B2 TDO2 Inhibitors GENENTECH, INC. (US) 2020-10-13 US disclosed
US-20190016726-A1 TDO2 Inhibitors PHARMARON BEIJING CO. LTD. (CN) 2019-01-17 US disclosed
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed
EP-3018132-A1 FUSED IMIDAZOLE DERIVATIVES USEFUL AS IDO INHIBITORS Newlink Genetics Corporation (US) 2016-05-11 EP disclosed
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 US disclosed
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed
WO-2011037244-A1 NOVEL BENZONITRILE COMPOUNDS AND METHOD FOR PREPARING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-31 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 (5 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-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL KMT2A 2225/4885MEN1 1370/4885LMNA 4611/4885
US-20190016726-A1 TDO2 Inhibitors TDO2, IDO2, IDO1 KMT2A 785/4885MEN1 4541/4885LMNA 4878/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF KMT2A 806/4885MEN1 1395/4885LMNA 3995/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF KMT2A 806/4885MEN1 1395/4885LMNA 3995/4885
US-10800780-B2 TDO2 Inhibitors TDO2, IDO2, IDO1 KMT2A 785/4885MEN1 4541/4885LMNA 4878/4885

“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.