SCHEMBL25745952

SCHEMBL25745952

CC(C)(C)c1ccc(Cl)c(OCCN2CCCC2)c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.71
▸ ALDH1A1 P00352 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ RECQL P46063 1/20 0.60
▸ TSHR P16473 2/20 0.57
▸ CYP1A2 P05177 3/20 0.55
▸ CYP2D6 P10635 3/20 0.55
▸ CYP2C19 P33261 3/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ CYP2C9 P11712 1/20 0.53
▸ PSMB1 P20618 2/20 0.52
▸ PSMB5 P28074 2/20 0.52
▸ PSMB2 P49721 2/20 0.52
▸ HRH3 Q9Y5N1 2/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HTR2C P28335 1/20 0.48
▸ LTA4H P09960 1/20 0.48

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
SCHEMBL10202603 0.89 KDM4E (0.75) KDM4EALDH1A1SMN1; SMN2RECQLTSHR
SCHEMBL270862 0.83 KDM4E (0.75) KDM4EALDH1A1SMN1; SMN2RECQLCYP1A2
SCHEMBL20204603 0.83 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2RECQLCYP1A2
SCHEMBL15187977 0.83 KDM4E (1.00) KDM4EALDH1A1SMN1; SMN2RECQLCYP1A2
SCHEMBL13861966 0.81 SMN1; SMN2 (0.67) KDM4EALDH1A1SMN1; SMN2TSHRCYP1A2
SCHEMBL10202587 0.81 KDM4E (0.75) KDM4EALDH1A1SMN1; SMN2RECQLCYP1A2
SCHEMBL24813411 0.80 HRH4 (0.56) KDM4EALDH1A1SMN1; SMN2RECQLTSHR
SCHEMBL17996265 0.80 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2RECQLCYP1A2
SCHEMBL19582074 0.78 TSHR (0.61) KDM4EALDH1A1SMN1; SMN2TSHRCYP1A2
SCHEMBL4366088 0.78 TSHR (0.61) KDM4EALDH1A1SMN1; SMN2TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2023-08-24 — — US disclosed
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors AJAX THERAPEUTICS, INC. (US) 2023-07-04 — — 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 (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-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B KDM4E 444/4885ALDH1A1 3735/4885SMN1; SMN2 4718/4885
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors JAK2, JAK3, STAT5B KDM4E 444/4885ALDH1A1 3735/4885SMN1; SMN2 4718/4885

“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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