SCHEMBL3532926

SCHEMBL3532926

COc1nn(Cc2ccccc2)cc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.60
▸ ALDH1A1 P00352 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ PARP1 P09874 1/20 0.46
▸ NOTUM Q6P988 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CACNA1G O43497 1/20 0.43
▸ CACNA1H O95180 1/20 0.43
▸ CACNA1I Q9P0X4 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ KLKB1 P03952 2/20 0.42
▸ KLK1 P06870 1/20 0.42
▸ CHRM1 P11229 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ DGAT1 O75907 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40

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
SCHEMBL25205458 0.89 KMT2A (0.55) KMT2AALDH1A1L3MBTL1CACNA1GCACNA1H
SCHEMBL28277692 0.85 KLKB1 (0.55) KLKB1
SCHEMBL20187301 0.85 ALDH1A1 (0.56) KMT2AALDH1A1LMNAPOLBCYP19A1
SCHEMBL6052401 0.80 ALDH1A1 (0.56) KMT2AALDH1A1L3MBTL1PARP1NOTUM
SCHEMBL21724299 0.80 MAP3K5 (0.42) KMT2AALDH1A1L3MBTL1LMNAGAA
SCHEMBL20524627 0.80 POLB (0.41) KMT2AALDH1A1L3MBTL1LMNAPOLB
SCHEMBL22712271 0.78 POLB (0.40) KMT2AALDH1A1L3MBTL1NOTUMLMNA
SCHEMBL20187293 0.78 KMT2A (0.43) KMT2AALDH1A1L3MBTL1PARP1LMNA
SCHEMBL19780571 0.78 KLKB1 (0.47) KMT2AALDH1A1L3MBTL1KLKB1
SCHEMBL25184413 0.77 AADAT (0.47) KMT2AALDH1A1L3MBTL1CACNA1GCACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999715-B2 ASK1 inhibiting agents BIOGEN MA INC. (US) 2024-06-04 — — US disclosed
EP-3837251-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2023-06-21 — — EP disclosed
EP-3837251-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2023-06-21 — — EP disclosed
US-20210317103-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. 2021-10-14 — — US disclosed
US-20210317103-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. 2021-10-14 — — US disclosed
CN-113227070-A ASK1 inhibitors 比奥根MA公司 2021-08-06 — — CN disclosed
EP-3837251-A1 ASK1 INHIBITING AGENTS Biogen MA Inc. (US) 2021-06-23 — — EP disclosed
WO-2020036949-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. (US) 2020-02-20 — — WO disclosed
WO-2020036949-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. (US) 2020-02-20 — — WO disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 — — US disclosed
US-20060229336-A1 Ccr5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORPORATION 2006-10-12 — — US disclosed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 — — EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 — — 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 (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-20210317103-A1 ASK1 INHIBITING AGENTS MAP3K1, MAP3K6, MAP3K10 KMT2A 3569/4885ALDH1A1 2482/4885L3MBTL1 698/4885
US-11999715-B2 ASK1 inhibiting agents MAP3K1, MAP3K6, MAP3K10 KMT2A 3569/4885ALDH1A1 2482/4885L3MBTL1 698/4885
US-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 KMT2A 4565/4885ALDH1A1 2787/4885L3MBTL1 1417/4885

“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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