SCHEMBL3548808

SCHEMBL3548808

CCc1onc(-c2ccccc2)c1C(=O)N1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.70
SMN1; SMN2 Q16637 3/20 0.65
HTT P42858 1/20 0.65
TSHR P16473 2/20 0.57
USP2 O75604 1/20 0.57
KDM4E B2RXH2 2/20 0.54
LMNA P02545 3/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A1 P04798 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2E1 P05181 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C8 P10632 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2A6 P11509 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP4B1 P13584 1/20 0.52
CYP2B6 P20813 1/20 0.52
CYP3A5 P20815 1/20 0.52
CYP2A7 P20853 1/20 0.52

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
SCHEMBL3541402 0.90 TSHR (0.72) KMT2ASMN1; SMN2HTTTSHRUSP2
SCHEMBL3539489 0.83 KMT2A (1.00) KMT2ASMN1; SMN2HTTTSHRUSP2
SCHEMBL2473730 0.81 PTGS1 (0.61) KMT2ASMN1; SMN2HTTTSHRCYP1A1
SCHEMBL3553134 0.80 SMN1; SMN2 (0.97) KMT2ASMN1; SMN2HTTTSHRUSP2
SCHEMBL3548423 0.80 KMT2A (0.83) KMT2ASMN1; SMN2HTTTSHRUSP2
SCHEMBL4974865 0.79 CYP1A1 (0.60) KMT2ASMN1; SMN2HTTTSHRCYP1A1
SCHEMBL11517966 0.78 GPBAR1 (0.62) KMT2ASMN1; SMN2HTTTSHRLMNA
SCHEMBL7031433 0.76 CYP1A1 (0.56) KMT2ASMN1; SMN2HTTTSHRLMNA
SCHEMBL2473630 0.76 CYP1A1 (0.56) KMT2ASMN1; SMN2HTTTSHRCYP1A1
SCHEMBL13501827 0.76 GPBAR1 (0.70) KMT2ASMN1; SMN2TSHRCYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US claimed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
EP-2051977-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 Amgen Inc. (US) 2009-04-29 EP disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 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 (1 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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 KMT2A 2389/4885SMN1; SMN2 3710/4885HTT 2807/4885

“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.