SCHEMBL21644556

SCHEMBL21644556

CC(C)c1cc(NC(=O)c2cccc(F)c2)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
BRD4 O60885 3/20 0.47
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
MYC P01106 1/20 0.46
MAX P61244 1/20 0.46
LRRK2 Q5S007 1/20 0.45
SENP5 Q96HI0 1/20 0.45
SENP2 Q9HC62 1/20 0.45
SENP1 Q9P0U3 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 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
SCHEMBL21678043 0.90 GAA (0.51) KDM4EGAASMN1; SMN2BRD4CYP1A2
SCHEMBL30779620 0.89 NPC1 (0.53) KDM4ESMN1; SMN2BRD4CYP1A2ALDH1A1
SCHEMBL20509696 0.89 NPC1 (0.53) KDM4ESMN1; SMN2BRD4CYP1A2ALDH1A1
SCHEMBL21644693 0.79 LRRK2 (0.66) KDM4ELRRK2MEN1KMT2A
SCHEMBL30779564 0.79 LRRK2 (0.66) KDM4ELRRK2MEN1KMT2A
SCHEMBL30779518 0.77 LMNA (0.55) SMN1; SMN2ALDH1A1LMNALRRK2NPC1
SCHEMBL21644520 0.77 LMNA (0.55) SMN1; SMN2ALDH1A1LMNALRRK2NPC1
SCHEMBL30779640 0.77 NPC1 (0.57) KDM4EGAASMN1; SMN2TDP1BRD4
SCHEMBL21644594 0.77 NPC1 (0.57) KDM4EGAASMN1; SMN2TDP1BRD4
SCHEMBL340952 0.76 KDM4E (0.55) KDM4EGAASMN1; SMN2POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111164074-B Heat shock protein 90 inhibitors 台北医学大学 2024-02-02 CN disclosed
US-11479528-B2 Heat shock protein 90 inhibitors TAIPEI MEDICAL UNIVERSITY (TW) 2022-10-25 US disclosed
CN-111164074-A Heat shock protein 90 inhibitor 台北医学大学 2020-05-15 CN disclosed
US-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2020-02-06 US disclosed
US-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2020-02-06 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-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90AA1 KDM4E 3893/4885GAA 599/4885SMN1; SMN2 4067/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 KDM4E 3893/4885GAA 599/4885SMN1; SMN2 4067/4885

“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.