SCHEMBL6755499

SCHEMBL6755499

CCn1c2c(c3ccccc31)C(=O)CCC2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
KDM4E B2RXH2 5/20 0.56
RAB9A P51151 1/20 0.56
ALDH1A1 P00352 2/20 0.51
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
BUB1 O43683 1/20 0.46
ALB P02768 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
TP53 P04637 1/20 0.46
CREBBP Q92793 1/20 0.46
RCE1 Q9Y256 1/20 0.46
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
PTGS1 P23219 1/20 0.44

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
SCHEMBL17901900 0.97 HDAC1 (0.56) HDAC1HDAC6KDM4ERAB9AALDH1A1
SCHEMBL30480036 0.82 HDAC1 (0.70) HDAC1HDAC6KDM4ECA1CA2
SCHEMBL6925178 0.82 HDAC1 (0.70) HDAC1HDAC6KDM4ECA1CA2
SCHEMBL7547764 0.81 HDAC1 (0.69) HDAC1HDAC6KDM4ECA1CA2
SCHEMBL14487450 0.81 KDM4E (0.68) HDAC1HDAC6KDM4EALDH1A1ALB
SCHEMBL7547761 0.80 HDAC1 (0.67) HDAC1HDAC6KDM4ECA1CA2
SCHEMBL5794392 0.80 ALDH1A1 (0.66) HDAC1HDAC6KDM4EALDH1A1MAPK1
SCHEMBL14484494 0.80 HDAC1 (0.57) HDAC1HDAC6KDM4EALDH1A1BUB1
SCHEMBL30223533 0.80 HTR2A (0.51) HDAC1HDAC6KDM4EALDH1A1BUB1
SCHEMBL1146660 0.80 HTR2A (0.51) HDAC1HDAC6KDM4EALDH1A1BUB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-20070197580-A1 Novel 5-HT3 Receptor Antagonists and Methods of Use MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2007-08-23 US disclosed
US-6713473-B1 6-CARBAMATE-1,2,3,4-TETRAHYDROCARBAZOLE DERIVATIVES; AFFINITY FOR NEUROPEPTIDE Y RECEPTORS MEIJI SEIKA KAISHA, LTD. (JP) 2004-03-30 US disclosed
EP-1184373-A1 TRICYCLIC COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 2002-03-06 EP 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 (5 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN HDAC1 274/4885HDAC6 872/4885KDM4E 1590/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN HDAC1 274/4885HDAC6 872/4885KDM4E 1590/4885
US-20070197580-A1 Novel 5-HT3 Receptor Antagonists and Methods of Use HTR5A, HTR3A, HTR3B HDAC1 3685/4885HDAC6 1772/4885KDM4E 2618/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN HDAC1 274/4885HDAC6 872/4885KDM4E 1590/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN HDAC1 274/4885HDAC6 872/4885KDM4E 1590/4885

“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.