SCHEMBL18932089

SCHEMBL18932089

CSc1ccc2nc(C(C)(C)C)[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.55
▸ HPGD P15428 4/20 0.55
▸ CYP1A2 P05177 3/20 0.55
▸ CYP2C9 P11712 3/20 0.55
▸ CYP2C19 P33261 3/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ SCN10A Q9Y5Y9 2/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ KDM4E B2RXH2 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ TYMS P04818 1/20 0.40
▸ CYP2E1 P05181 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C8 P10632 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2B6 P20813 2/20 0.38
▸ LMNA P02545 2/20 0.38

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
SCHEMBL23717308 0.85 ALDH1A1 (0.77) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL16809191 0.77 ALDH1A1 (0.58) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL3269719 0.77 ALDH1A1 (0.58) ALDH1A1HPGDCYP1A2HSD17B10SMN1; SMN2
SCHEMBL846652 0.77 SCN10A (0.78) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL11546307 0.76 TYMS (0.60) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL10248233 0.76 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10SMN1; SMN2L3MBTL1
SCHEMBL521629 0.76 MAPT (0.68) ALDH1A1HPGDHSD17B10SMN1; SMN2L3MBTL1
SCHEMBL10220066 0.76 ALDH1A1 (0.56) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL18659837 0.76 ALDH1A1 (0.56) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL8502461 0.76 HPGD (0.51) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19

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-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 — — US disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 — — 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-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885HPGD 3586/4885CYP1A2 2958/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885HPGD 3586/4885CYP1A2 2958/4885

“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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