SCHEMBL4073041

SCHEMBL4073041

O=C([CH]Cc1ccccc1)NCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C19 P33261 2/20 0.62
LMNA P02545 1/20 0.62
MMP1 P03956 4/20 0.59
MMP2 P08253 4/20 0.59
MMP9 P14780 4/20 0.59
CYP2C9 P11712 2/20 0.57
EPHX1 P07099 1/20 0.53
GAA P10253 1/20 0.52
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
EPHX2 P34913 1/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
TSHR P16473 1/20 0.50
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48

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
SCHEMBL4071827 0.90 ALDH1A1 (0.60) ALDH1A1CYP2D6CYP2C19LMNAMMP1
SCHEMBL27839057 0.85 ALDH1A1 (0.62) ALDH1A1CYP2D6CYP2C19LMNAMMP1
SCHEMBL26129219 0.84 USP2 (0.63) ALDH1A1CYP2C19LMNACYP2C9KMT2A
SCHEMBL1416058 0.83 ALDH1A1 (0.61) ALDH1A1CYP2D6CYP2C19LMNAMMP1
SCHEMBL7749862 0.83 KMT2A (0.46) ALDH1A1CYP2D6CYP2C19LMNAMMP1
SCHEMBL28084171 0.83 NAMPT (0.50) ALDH1A1CYP2D6CYP2C19LMNACYP2C9
SCHEMBL18730206 0.82 ALDH1A1 (0.65) ALDH1A1CYP2D6CYP2C19LMNAMMP1
SCHEMBL4064577 0.82 KMT2A (0.64) ALDH1A1LMNAGAAKMT2ASMN1; SMN2
SCHEMBL5158355 0.82 ALDH1A1 (0.89) ALDH1A1CYP2D6CYP2C19LMNAMMP1
SCHEMBL10336384 0.82 ALDH1A1 (0.89) ALDH1A1CYP2D6CYP2C19LMNAMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed
US-20040259890-A1 Spiro compounds MSD K.K. (JP) 2004-12-23 US disclosed
EP-1415986-A1 SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 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 (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-20040259890-A1 Spiro compounds OPRD1, PER2, OPRK1 ALDH1A1 1250/4885CYP2D6 407/4885CYP2C19 376/4885

“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.