SCHEMBL15764263

SCHEMBL15764263

COc1ccc(Cl)c(NCl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
SRC P12931 3/20 0.46
GAA P10253 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
P2RX7 Q99572 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HTR2A P28223 3/20 0.41
SLC6A4 P31645 3/20 0.41
POLB P06746 2/20 0.41
KCNH2 Q12809 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AKR1C3 P42330 1/20 0.41

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
SCHEMBL9227792 0.83 TDP1 (0.53) TDP1SRCGAAMAPTLMNA
SCHEMBL16843457 0.83 GAA (0.47) TDP1GAAMAPTLMNAMEN1
SCHEMBL2862866 0.82 TDP1 (0.51) TDP1SRCGAAMAPTLMNA
SCHEMBL21844974 0.82 TDP1 (0.51) TDP1SRCGAAMAPTLMNA
Hydrochloric Acid SCHEMBL20984545 0.80 TDP1 (0.50) TDP1SRCGAAMAPTLMNA
Bromide SCHEMBL20984474 0.80 TDP1 (0.54) TDP1SRCGAAMAPTLMNA
SCHEMBL2585556 0.79 KMT2A (0.62) GAAMAPTLMNAMEN1KMT2A
SCHEMBL21635515 0.79 TDP1 (0.60) TDP1SRCGAAMAPTLMNA
SCHEMBL3397530 0.78 KMT2A (0.47) GAAMAPTLMNAMEN1KMT2A
SCHEMBL18469408 0.78 ALDH1A1 (0.52) TDP1GAAMAPTLMNAMEN1

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-9475769-B2 Zinc halide mediated cyclization process leading to tricyclic indoles GE HEALTHCARE LIMITED (GB) 2016-10-25 US disclosed
US-20150336891-A1 Zinc Halide Mediated Cyclization Process Leading to Tricyclic Indoles GE HEALTHCARE LIMITED (GB) 2015-11-26 US disclosed
US-20150335766-A1 CRYSTALLIZATION PROCESS OF TRICYCLIC INDOLE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2015-11-26 US disclosed
WO-2014083163-A1 ZINC HALIDE MEDIATED CYCLIZATION PROCESS LEADING TO TRICYCLIC INDOLES GE HEALTHCARE LIMITED (GB) 2014-06-05 WO disclosed
WO-2014083113-A1 CRYSTALLIZATION PROCESS OF TRICYCLIC INDOLE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2014-06-05 WO disclosed
US-20130104887-A1 Dry Powder Drug Delivery System and Methods MANNKIND CORPORATION (US) 2013-05-02 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 (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-20150335766-A1 CRYSTALLIZATION PROCESS OF TRICYCLIC INDOLE DERIVATIVES IDO1, IDO2, TPH1 TDP1 1321/4885SRC 538/4885GAA 4260/4885
US-20150336891-A1 Zinc Halide Mediated Cyclization Process Leading to Tricyclic Indoles IDO1, IDO2, TPH2 TDP1 3208/4885SRC 1579/4885GAA 3365/4885

“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.