SCHEMBL19511368

SCHEMBL19511368

c1ccc(C2CCc3ccc4c(c3N2)NC(c2ccccc2)CC4)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
NOS1 P29475 3/20 0.41
PRCP P42785 2/20 0.40
CYP11B2 P19099 1/20 0.38
GRIN2B Q13224 2/20 0.37
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35

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
SCHEMBL19511339 0.87 HDAC4 (0.37) ESR1ESR2NOS1PRCPSLC18A3
SCHEMBL19056869 0.79 SLC40A1 (0.43) NOS1MEN1KMT2ACYP3A4
SCHEMBL13306192 0.78 ESR1 (0.51) ESR1ESR2PRCPCYP11B2GRIN2B
SCHEMBL5051433 0.78 ESR1 (0.51) ESR1ESR2PRCPCYP11B2GRIN2B
SCHEMBL30124970 0.78 ESR1 (0.51) ESR1ESR2PRCPCYP11B2GRIN2B
SCHEMBL13784817 0.78 ESR1 (0.51) ESR1ESR2PRCPCYP11B2GRIN2B
SCHEMBL19056921 0.78 NOS1 (0.36) ESR1ESR2NOS1MEN1KMT2A
SCHEMBL239601 0.78 TOP1 (0.51) ESR1ESR2NOS1PRCPCYP11B2
Hydrochloric Acid SCHEMBL30542604 0.77 ESR1 (0.50) ESR1ESR2PRCPCYP11B2GRIN2B
SCHEMBL241233 0.76 NPSR1 (0.34) ESR1ESR2NOS1PRCPCYP11B2

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
EP-3239156-B1 NOVEL GROUP 4 TRANSITION METAL COMPOUND AND USE OF SAME HANWHA CHEMICAL CORP (KR) 2023-03-01 EP disclosed
CN-107001500-B Novel group 4 transition metal compound and use thereof 韩华化学株式会社 2020-11-03 CN disclosed
US-10364302-B2 Group 4 transition metal compound and use thereof HANWHA CHEMICAL CORPORATION (KR) 2019-07-30 US disclosed
US-20180002461-A1 NOVEL GROUP 4 TRANSITION METAL COMPOUND AND USE THEREOF HANWHA CHEMICAL CORPORATION (KR) 2018-01-04 US disclosed
EP-3239156-A1 NOVEL GROUP 4 TRANSITION METAL COMPOUND AND USE OF SAME Hanwha Chemical Corporation (KR) 2017-11-01 EP disclosed
CN-107001500-A The 4th novel group transition metal compound and application thereof 韩华化学株式会社 2017-08-01 CN 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-20180002461-A1 NOVEL GROUP 4 TRANSITION METAL COMPOUND AND USE THEREOF MORF4L1, TRPV4, TRPM4 ESR1 2854/4885ESR2 4104/4885NOS1 534/4885
US-10364302-B2 Group 4 transition metal compound and use thereof TRPM4, MORF4L1, TRPV4 ESR1 3156/4885ESR2 4330/4885NOS1 500/4885

“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.