SCHEMBL16913075

SCHEMBL16913075

CC1=C(c2ccc(Cl)cc2)c2ccc(Br)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.47
ESR2 Q92731 8/20 0.47
METAP1 P53582 2/20 0.38
TDP2 O95551 3/20 0.38
PGR P06401 2/20 0.35
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
MCL1 Q07820 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
MEN1 O00255 1/20 0.33
JAK2 O60674 1/20 0.33
NTRK1 P04629 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
SCHEMBL16913152 0.91 ESR1 (0.43) ESR1ESR2METAP1TDP2KMT2A
SCHEMBL2959837 0.87 ESR1 (0.48) ESR1ESR2METAP1TDP2PGR
SCHEMBL2959335 0.84 ESR1 (0.42) ESR1ESR2METAP1TDP2PGR
SCHEMBL17020946 0.79 ESR1 (0.44) ESR1ESR2METAP1KMT2ALMNA
SCHEMBL2974708 0.78 ESR1 (0.44) ESR1ESR2METAP1TDP2KMT2A
SCHEMBL16913293 0.78 ESR1 (0.42) ESR1ESR2METAP1TDP2MAPT
SCHEMBL2974440 0.77 NPC1 (0.42) ESR1ESR2METAP1SMN1; SMN2
SCHEMBL2970474 0.74 TDP1 (0.39) ESR1ESR2METAP1LMNAMAPT
SCHEMBL16913239 0.74 KMT2A (0.45) ESR1ESR2METAP1TDP2PGR
SCHEMBL2965972 0.73 METAP1 (0.39) ESR1ESR2METAP1TDP2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890147-B2 2,3-benzodiazepines BAYER PHARMA AKTIENGESELLSHAFT (DE) 2018-02-13 US disclosed
US-9890147-B2 2,3-benzodiazepines BAYER PHARMA AKTIENGESELLSHAFT (DE) 2018-02-13 US disclosed
US-9890147-B2 2,3-benzodiazepines BAYER PHARMA AKTIENGESELLSHAFT (DE) 2018-02-13 US disclosed
EP-2885286-B1 2,3-BENZODIAZEPINES Bayer Pharma AG (DE) 2017-03-22 EP disclosed
EP-2885286-B1 2,3-BENZODIAZEPINES Bayer Pharma AG (DE) 2017-03-22 EP disclosed
US-20150203483-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-23 US disclosed
US-20150203483-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-23 US disclosed
US-20150203483-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-23 US 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-20150203483-A1 2,3-BENZODIAZEPINES BRD4, BET1, BRDT ESR1 90/4885ESR2 51/4885METAP1 4349/4885

“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.