SCHEMBL3751782

SCHEMBL3751782

O=C(NCc1cccnc1)C1NCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.57
CYP3A4 P08684 4/20 0.57
POLB P06746 1/20 0.57
CYP2C9 P11712 4/20 0.50
CYP1A2 P05177 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
RECQL P46063 1/20 0.49
FPR1 P21462 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.48
LMNA P02545 2/20 0.47
USP2 O75604 2/20 0.47
CYP17A1 P05093 1/20 0.46
CYP19A1 P11511 1/20 0.46
HSD11B1 P28845 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL30524882 0.76 P2RX7 (0.50) POLB
Hydrochloric Acid SCHEMBL15569689 0.76 MEN1 (0.57) CYP2C19POLBTSHR
SCHEMBL4163569 0.75 TSHR (0.44) TSHR
SCHEMBL7419984 0.74 ALDH1A1 (0.70) CYP2C19CYP3A4CYP2C9RECQLALDH1A1
SCHEMBL3753680 0.73 HTT (0.46) TSHRHTT
SCHEMBL8100592 0.73 SMN1; SMN2 (0.53) CYP2C19CYP3A4POLBCYP2C9CYP1A2
SCHEMBL4156187 0.72 RORC (0.40) CYP2C19CYP3A4CYP2C9CYP1A2ALDH1A1
SCHEMBL1426173 0.72 LMNA (0.46) POLBCYP1A2ALDH1A1TSHRLMNA
SCHEMBL8139244 0.71 TSHR (0.67) CYP2C19CYP3A4CYP2C9CYP1A2SMN1; SMN2
SCHEMBL4379441 0.71 ALDH1A1 (0.63) CYP2C19CYP3A4CYP2C9SMN1; SMN2RECQL

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-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 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-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 CYP2C19 127/4885CYP3A4 74/4885POLB 2841/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 CYP2C19 222/4885CYP3A4 140/4885POLB 3428/4885

“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.