SCHEMBL21628378

SCHEMBL21628378

CCC(C)(C)c1ccc(Oc2ncc(C(N)=O)cc2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPT P10636 2/20 0.44
PTGER4 P35408 1/20 0.40
PTPN1 P18031 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
HPGDS O60760 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PARP10 Q53GL7 2/20 0.37
LTA4H P09960 2/20 0.36
KCNH2 Q12809 1/20 0.36
LMNA P02545 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL20482495 0.89 NPC1 (0.56) NPC1RAB9APOLBCYP2C9MAPT
SCHEMBL21628769 0.88 ICAM1 (0.44) NPC1RAB9APOLBCYP2C9MAPT
SCHEMBL20482112 0.87 NPC1 (0.46) NPC1RAB9APOLBCYP2C9MAPT
SCHEMBL21628706 0.86 MAOB (0.45) NPC1RAB9APOLBCYP2C9MAPT
SCHEMBL21628614 0.86 NPC1 (0.45) NPC1RAB9APOLBCYP2C9MAPT
SCHEMBL21628414 0.86 NPC1 (0.45) NPC1RAB9APOLBCYP2C9MAPT
SCHEMBL21656779 0.86 HDAC6 (0.47) NPC1RAB9APOLBCYP2C9MAPT
SCHEMBL21628728 0.84 SMN1; SMN2 (0.48) MAPTSMN1; SMN2KDM4ELMNAMAOB
SCHEMBL21628389 0.83 CHEK2 (0.45) MAPTPTGER4HPGDSPARP10MAOB
SCHEMBL23228813 0.83 PTGER4 (0.35) MAPTPTGER4HPGDSSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12600696-B2 Aromatic compounds Xeniopro GmbH (DE) 2026-04-14 US disclosed
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-12-21 US disclosed
US-20230150923-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-05-18 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2022-11-03 US disclosed
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2021-04-15 US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 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 (7 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-20230150923-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK NPC1 4591/4885RAB9A 2955/4885POLB 3699/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK NPC1 4591/4885RAB9A 2955/4885POLB 3699/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK NPC1 4499/4885RAB9A 3345/4885POLB 2979/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK NPC1 4591/4885RAB9A 2955/4885POLB 3699/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR NPC1 565/4885RAB9A 3981/4885POLB 814/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK NPC1 4591/4885RAB9A 2955/4885POLB 3699/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK NPC1 4591/4885RAB9A 2955/4885POLB 3699/4885

“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.