SCHEMBL17498749

SCHEMBL17498749

C(=Cc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(-c2ncc[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.57
▸ HDAC1 Q13547 1/20 0.57
▸ HDAC8 Q9BY41 1/20 0.57
▸ NPC1 O15118 9/20 0.50
▸ RAB9A P51151 9/20 0.50
▸ GAA P10253 1/20 0.50
▸ KDM4E B2RXH2 9/20 0.49
▸ SMN1; SMN2 Q16637 8/20 0.49
▸ ALDH1A1 P00352 7/20 0.49
▸ HPGD P15428 4/20 0.49
▸ TP53 P04637 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ PKN1 Q16512 1/20 0.47
▸ PKN2 Q16513 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ GFER P55789 1/20 0.46
▸ PARP1 P09874 1/20 0.46
▸ MTOR P42345 1/20 0.46
▸ ADK P55263 1/20 0.46

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
SCHEMBL17498733 0.95 HDAC1 (0.59) HDAC6HDAC1HDAC8NPC1RAB9A
SCHEMBL16147445 0.84 HDAC1 (0.48) HDAC6HDAC1HDAC8NPC1RAB9A
SCHEMBL16147450 0.84 HDAC1 (0.48) HDAC6HDAC1HDAC8NPC1RAB9A
SCHEMBL16148219 0.82 NPC1 (0.55) NPC1RAB9AGAAKDM4ESMN1; SMN2
SCHEMBL17498795 0.82 HDAC1 (0.67) HDAC6HDAC1HDAC8NPC1RAB9A
SCHEMBL17498788 0.82 HDAC1 (0.67) HDAC6HDAC1HDAC8NPC1RAB9A
SCHEMBL8388879 0.81 NPC1 (0.70) HDAC6NPC1RAB9AGAAKDM4E
SCHEMBL8931082 0.81 NPC1 (0.70) HDAC6NPC1RAB9AGAAKDM4E
SCHEMBL16148053 0.79 MMP2 (0.66) HDAC6HDAC1HDAC8NPC1RAB9A
SCHEMBL16148079 0.79 HDAC1 (0.60) HDAC6HDAC1HDAC8NPC1RAB9A

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 4 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
US-9694005-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-07-04 — — US disclosed
US-20160038476-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2016-02-11 — — 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 (3 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-20160038476-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 HDAC6 423/4885HDAC1 198/4885HDAC8 385/4885
US-10617685-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity AR, NR5A1, BRCA1 HDAC6 423/4885HDAC1 198/4885HDAC8 385/4885
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 HDAC6 423/4885HDAC1 198/4885HDAC8 385/4885

“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.

Send feedback