SCHEMBL18313865

SCHEMBL18313865

Oc1c(C(c2ccc(C(F)(F)F)cc2)N2CCCC2)cc(Cl)c2cccnc12

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.79
HSP90AA1 P07900 7/20 0.79
KDM4E B2RXH2 6/20 0.79
ALDH1A1 P00352 6/20 0.79
MAPT P10636 6/20 0.79
HTT P42858 6/20 0.79
L3MBTL1 Q9Y468 3/20 0.79
SMN1; SMN2 Q16637 3/20 0.79
LMNA P02545 2/20 0.79
PSMD14 O00487 1/20 0.66
MMP2 P08253 1/20 0.66
TDP1 Q9NUW8 3/20 0.65
PPP1CA P62136 2/20 0.65
ALPL P05186 1/20 0.65
ADAM17 P78536 1/20 0.65
KMT2A Q03164 5/20 0.64
MEN1 O00255 3/20 0.64
ALOX12 P18054 1/20 0.55
ESR2 Q92731 1/20 0.55
ATM Q13315 1/20 0.54

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
SCHEMBL30868623 0.80 P4HB (0.78) MCL1HSP90AA1KDM4EALDH1A1MAPT
SCHEMBL30253533 0.79 HSP90AA1 (0.69) MCL1HSP90AA1KDM4EALDH1A1MAPT
SCHEMBL25079430 0.79 HSP90AA1 (0.69) MCL1HSP90AA1KDM4EALDH1A1MAPT
SCHEMBL1239546 0.79 HSP90AA1 (0.82) MCL1HSP90AA1KDM4EALDH1A1MAPT
SCHEMBL1239765 0.79 KDM4E (1.00) MCL1HSP90AA1KDM4EALDH1A1MAPT
SCHEMBL16696543 0.78 MCL1 (0.75) MCL1HSP90AA1KDM4EALDH1A1MAPT
SCHEMBL9996417 0.78 HSP90AA1 (0.70) MCL1HSP90AA1KDM4EALDH1A1MAPT
SCHEMBL11955269 0.78 HSP90AA1 (0.80) MCL1HSP90AA1KDM4EALDH1A1MAPT
SCHEMBL11955295 0.76 KDM4E (0.69) MCL1HSP90AA1KDM4EALDH1A1MAPT
SCHEMBL16696521 0.74 MCL1 (0.75) MCL1HSP90AA1KDM4EALDH1A1MAPT

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-20230149399-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASES AND AUTOIMMUNE DISEASES USHER III INITIATIVE, INC. 2023-05-18 US disclosed
US-20230149399-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASES AND AUTOIMMUNE DISEASES USHER III INITIATIVE, INC. 2023-05-18 US disclosed
EP-3307742-B1 METHODS OF TREATING OR PREVENTING A PROTEOPATHY USHER III INITIATIVE INC (US) 2022-05-18 EP disclosed
WO-2022011091-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASES AND AUTOIMMUNE DISEASES USHER III INITIATIVE, INC. (US) 2022-01-13 WO disclosed
US-20180099974-A1 METHODS OF TREATING OR PREVENTING A PROTEOPATHY USHER III INITIATIVE, INC. 2018-04-12 US disclosed
US-20180099974-A1 METHODS OF TREATING OR PREVENTING A PROTEOPATHY USHER III INITIATIVE, INC. 2018-04-12 US disclosed
WO-2016201266-A1 METHODS OF TREATING OR PREVENTING A PROTEOPATHY USHER III INITIATIVE, INC. (US) 2016-12-15 WO 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-20180099974-A1 METHODS OF TREATING OR PREVENTING A PROTEOPATHY PSMG3, HSPA5, TTR MCL1 2481/4885HSP90AA1 99/4885KDM4E 4067/4885
US-20230149399-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASES AND AUTOIMMUNE DISEASES TNF, HLA-DRB1, GSTK1 MCL1 628/4885HSP90AA1 775/4885KDM4E 2203/4885

“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.