SCHEMBL13646893

SCHEMBL13646893

Cc1sc2c3ccccc3ccc2[n+]1CCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.59
▸ CYP2D6 P10635 2/20 0.59
▸ TSHR P16473 1/20 0.59
▸ KDM4E B2RXH2 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ POLB P06746 1/20 0.42
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35

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
SCHEMBL15743862 0.86 MAPT (0.56) HSD17B10CYP2D6TSHRKDM4EMAPT
SCHEMBL13979716 0.79 MAPT (0.56) CYP2D6KDM4EMAPTNPC1RAB9A
Iodide SCHEMBL3053673 0.77 MAPT (0.58) KDM4EMAPTNPC1RAB9ATDP1
SCHEMBL12576985 0.75 CYP2D6 (1.00) HSD17B10CYP2D6TSHRKDM4EMAPT
Iodide SCHEMBL15846367 0.73 CYP2D6 (0.97) HSD17B10CYP2D6TSHRKDM4EMAPT
Bromide SCHEMBL10776612 0.73 CYP2D6 (0.97) HSD17B10CYP2D6TSHRKDM4EMAPT
SCHEMBL6354061 0.71 ALDH1A1 (0.42) CYP2D6KDM4EMAPTNPC1RAB9A
SCHEMBL13851440 0.70 ALDH1A1 (0.53) HSD17B10TSHRKDM4EMAPTRAB9A
SCHEMBL15079141 0.69 TSHR (0.56) HSD17B10CYP2D6TSHRKDM4EMAPT
SCHEMBL8007151 0.69 MAPT (0.44) HSD17B10CYP2D6KDM4EMAPTNPC1

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
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
EP-1627635-B1 Benzothiazolium compounds for use in methods of inhibiting NO production and TNF alpha and treating coronaviral infection NAT HEALTH RESEARCH INSTITUTES (TW) 2009-10-07 — — 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 (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 HSD17B10 2968/4885CYP2D6 4800/4885TSHR 4366/4885
US-20230149399-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASES AND AUTOIMMUNE DISEASES TNF, HLA-DRB1, GSTK1 HSD17B10 2578/4885CYP2D6 2421/4885TSHR 2784/4885

“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.

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