SCHEMBL6327952

SCHEMBL6327952

O=C(CCc1nc(-c2ccc3c(c2)CCO3)no1)NCCCNc1n[nH]c(=O)c2cccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
HPGD P15428 4/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 9/20 0.38
LMNA P02545 5/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 3/20 0.38
USP2 O75604 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL5076377 0.91 KMT2A (0.44) KMT2AHPGDPOLBTSHRLMNA
SCHEMBL6327152 0.89 KMT2A (0.44) KMT2AHPGDPOLBTSHRLMNA
SCHEMBL6326152 0.87 SMN1; SMN2 (0.46) KMT2AHPGDPOLBTSHRLMNA
SCHEMBL6325758 0.86 KMT2A (0.45) KMT2AHPGDPOLBTSHRLMNA
SCHEMBL6327197 0.86 SMN1; SMN2 (0.46) KMT2AHPGDPOLBTSHRLMNA
SCHEMBL6330590 0.85 TSHR (0.46) HPGDPOLBTSHRLMNAALDH1A1
SCHEMBL6333338 0.85 LMNA (0.48) HPGDPOLBTSHRLMNAALDH1A1
SCHEMBL6326482 0.81 HPGD (0.44) HPGDPOLBTSHRLMNAALDH1A1
SCHEMBL6333032 0.81 TSHR (0.47) KMT2AHPGDTSHRLMNAALDH1A1
SCHEMBL6328173 0.80 ALDH1A1 (0.42) KMT2AHPGDPOLBTSHRLMNA

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-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 KMT2A 152/4885HPGD 539/4885POLB 54/4885

“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.