SCHEMBL21201180

SCHEMBL21201180

COC(C)(C)c1cc(Br)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ CCR1 P32246 1/20 0.31
▸ CCR5 P51681 1/20 0.31
▸ CCR8 P51685 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ EGFR P00533 2/20 0.31
▸ KCNT1 Q5JUK3 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ GAK O14976 3/20 0.30
▸ EPHB6 O15197 1/20 0.30
▸ RIPK2 O43353 1/20 0.30
▸ STK16 O75716 1/20 0.30
▸ ABL1 P00519 1/20 0.30
▸ ACVR1 Q04771 1/20 0.30
▸ AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL29478732 1.00 HSD17B10 (0.38) HSD17B10SMN1; SMN2KDM4EALDH1A1PTGS1
SCHEMBL20299141 0.83 KDM4E (0.35) SMN1; SMN2KDM4EALDH1A1PTGS1PTGS2
SCHEMBL29426991 0.79 SMN1; SMN2 (0.41) HSD17B10SMN1; SMN2KDM4EALDH1A1PTGS1
SCHEMBL571943 0.79 SMN1; SMN2 (0.41) HSD17B10SMN1; SMN2KDM4EALDH1A1PTGS1
SCHEMBL23916519 0.79 KDM4E (0.33) SMN1; SMN2KDM4EALDH1A1
SCHEMBL16009116 0.79 KDM4E (0.33) SMN1; SMN2KDM4EALDH1A1
SCHEMBL31753134 0.79 KDM4E (0.33) SMN1; SMN2KDM4EALDH1A1
SCHEMBL11996635 0.78 CCR1 (0.45) HSD17B10SMN1; SMN2KDM4EALDH1A1CCR1
SCHEMBL20875536 0.78 KDM4E (0.39) SMN1; SMN2KDM4EALDH1A1PTGS1PTGS2
SCHEMBL29620499 0.78 KDM4E (0.39) SMN1; SMN2KDM4EALDH1A1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718628-B2 SREBP inhibitors comprising a 6-membered central ring CAPULUS THERAPEUTICS, LLC (US) 2023-08-08 — — US disclosed
US-11718628-B2 SREBP inhibitors comprising a 6-membered central ring CAPULUS THERAPEUTICS, LLC (US) 2023-08-08 — — US disclosed
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-08-18 — — US disclosed
CN-114269340-A KCNT1 inhibitors and methods of use 普拉克西斯精密药物股份有限公司 2022-04-01 — — CN disclosed
EP-3962481-A1 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2022-03-09 — — EP disclosed
US-20210047340-A1 SREBP INHIBITORS COMPRISING A 6-MEMBERED CENTRAL RING CAPULUS THERAPEUTICS, LLC 2021-02-18 — — US disclosed
CN-112243374-A SREBP inhibitors comprising a 6-membered central ring 卡普勒斯疗法有限责任公司 2021-01-19 — — CN disclosed
EP-3746070-A1 SREBP INHIBITORS COMPRISING A 6-MEMBERED CENTRAL RING Capulus Therapeutics, LLC (US) 2020-12-09 — — EP disclosed
WO-2020227101-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 — — WO disclosed
WO-2019148125-A1 SREBP INHIBITORS COMPRISING A 6-MEMBERED CENTRAL RING CAPULUS THERAPEUTICS, LLC (US) 2019-08-01 — — 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-11718628-B2 SREBP inhibitors comprising a 6-membered central ring SREBF1, SREBF2, XBP1 HSD17B10 226/4885SMN1; SMN2 4012/4885KDM4E 3805/4885
US-20210047340-A1 SREBP INHIBITORS COMPRISING A 6-MEMBERED CENTRAL RING SREBF1, SREBF2, XBP1 HSD17B10 226/4885SMN1; SMN2 4012/4885KDM4E 3805/4885
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 HSD17B10 2038/4885SMN1; SMN2 423/4885KDM4E 1355/4885

“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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