SCHEMBL6769060

SCHEMBL6769060

CC(=O)c1cn(CCc2ccccc2)c2ccc(Cl)cc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.52
KCNH2 Q12809 1/20 0.48
ALDH1A1 P00352 2/20 0.47
ADRA1D P25100 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.46
CNR2 P34972 3/20 0.46
HAT1 O14929 3/20 0.44
EP300 Q09472 3/20 0.44
CNR1 P21554 1/20 0.43
PKM P14618 1/20 0.43
EGFR P00533 1/20 0.43
OXER1 Q8TDS5 1/20 0.43
LMNA P02545 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL20769653 0.81 ALDH1A1 (0.61) ALDH1A1LMNA
SCHEMBL20787986 0.80 PDE4A (0.47) ALDH1A1ADRA1DEGFROXER1
SCHEMBL22450724 0.80 KCNH2 (0.56) CREBBPKCNH2ALDH1A1POLBCNR2
SCHEMBL31158213 0.79 KCNH2 (0.49) CREBBPKCNH2ALDH1A1SMN1; SMN2POLB
SCHEMBL20789160 0.78 ADRA1D (0.43) ALDH1A1ADRA1DEGFROXER1LMNA
SCHEMBL27546953 0.78 L3MBTL1 (0.50) ALDH1A1SMN1; SMN2POLBCNR2CNR1
SCHEMBL8358588 0.78 LMNA (0.62) ALDH1A1SMN1; SMN2CNR2CNR1LMNA
SCHEMBL9572754 0.75 KCNH2 (0.59) KCNH2ALDH1A1POLBLMNA
SCHEMBL8358799 0.75 NR4A2 (0.53) ALDH1A1LMNA
SCHEMBL5208684 0.74 POLB (0.57) CREBBPALDH1A1SMN1; SMN2POLBCNR2

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-6716605-B2 Indole derivatives having an antiviral activity SHIONOGI & CO., LTD. (JP) 2004-04-06 US disclosed
US-20030181499-A1 Indole derivatives having an antiviral activity FUJISHITA TOSHIO (JP) 2003-09-25 US disclosed
US-6506787-B2 Aids therapy SHIONOGI & CO., LTD. (JP) 2003-01-14 US disclosed
US-20020019434-A1 Indole derivatives having an antiviral activity FUJISHITA TOSHIO (JP) 2002-02-14 US disclosed
US-6333323-B1 AS ANTI-HUMAN IMMUNODEFICIENCY VIRUS (HIV) DRUGS SHIONOGI & CO., LTD. (JP) 2001-12-25 US disclosed
EP-1069111-A1 INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY SHIONOGI & CO., LTD. (JP) 2001-01-17 EP 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-20020019434-A1 Indole derivatives having an antiviral activity IDO1, IDO2, RCOR1 CREBBP 2658/4885KCNH2 3419/4885ALDH1A1 2014/4885
US-20030181499-A1 Indole derivatives having an antiviral activity IDO1, RCOR1, IDO2 CREBBP 2445/4885KCNH2 3390/4885ALDH1A1 1891/4885

“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.