SCHEMBL19366290

SCHEMBL19366290

CCC1CCc2cc(OC(=S)n3cnc4ccccc43)ccc2C1CC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.35
MAPT P10636 4/20 0.34
HPGD P15428 4/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 6/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
CYP17A1 P05093 1/20 0.33
BCHE P06276 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
ASAH1 Q13510 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC6A9 P48067 1/20 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
SCHEMBL16158417 0.82 KMT2A (0.38) KMT2AMAPTHPGDLMNAALDH1A1
SCHEMBL17531487 0.79 KMT2A (0.35) KMT2AMAPTHPGDLMNAALDH1A1
SCHEMBL19067936 0.75 SMN1; SMN2 (0.35) KMT2AMAPTLMNASMN1; SMN2MEN1
SCHEMBL17538308 0.71 KMT2A (0.42) KMT2AMAPTHPGDLMNAALDH1A1
SCHEMBL17538350 0.69 MAPT (0.38) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL19067935 0.67 KMT2A (0.39) KMT2AMAPTHPGDLMNAALDH1A1
SCHEMBL17531490 0.66 KMT2A (0.40) KMT2AMAPTHPGDLMNAALDH1A1
SCHEMBL17531510 0.66 KMT2A (0.34) KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL19850681 0.64 SRD5A1 (0.43)
SCHEMBL19366249 0.63 FGFR1 (0.46) CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10617685-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-04-14 US disclosed
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-21 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-10617685-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity AR, NR5A1, BRCA1 KMT2A 3574/4885MAPT 2604/4885HPGD 368/4885
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 KMT2A 3574/4885MAPT 2604/4885HPGD 368/4885

“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.