SCHEMBL5992305

SCHEMBL5992305

O=[C]C(NC(=O)c1cc2ccccc2[nH]1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.56
▸ PIK3CA P42336 5/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ DRD2 P14416 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ MAPT P10636 1/20 0.53
▸ DAO P14920 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ SRD5A2 P31213 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ PYGL P06737 1/20 0.51
▸ FLT3 P36888 1/20 0.50
▸ TAS1R3 Q7RTX0 1/20 0.50
▸ TAS1R1 Q7RTX1 1/20 0.50

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
SCHEMBL19476075 0.81 MEN1 (0.64) EGFRPIK3CANPC1LMNARAB9A
SCHEMBL6883379 0.81 MEN1 (0.64) EGFRPIK3CANPC1LMNARAB9A
SCHEMBL17149629 0.81 MEN1 (0.64) EGFRPIK3CANPC1LMNARAB9A
SCHEMBL29949076 0.77 DRD2 (0.68) EGFRPIK3CANPC1LMNARAB9A
SCHEMBL13753384 0.77 DRD2 (0.68) EGFRPIK3CANPC1LMNARAB9A
SCHEMBL7429452 0.76 EGFR (0.54) EGFRPIK3CANPC1LMNARAB9A
SCHEMBL10464127 0.76 KDM4E (0.56) EGFRPIK3CANPC1LMNARAB9A
SCHEMBL8670236 0.76 CCKAR (0.77) EGFRPIK3CANPC1LMNARAB9A
SCHEMBL8670229 0.76 CCKAR (0.77) EGFRPIK3CANPC1LMNARAB9A
SCHEMBL13761386 0.74 TAS1R3 (0.58) EGFRPIK3CANPC1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0917462-B1 CELL ADHESION INHIBITORS BIOGEN IDEC INC (US) 2006-09-13 — — EP disclosed
US-20060030553-A1 Cell adhesion inhibitors ZHENG ZHONGLI 2006-02-09 — — US disclosed
US-6949534-B2 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2005-09-27 — — US disclosed
US-20040053907-A1 Cell adhesion inhibitors BIOGEN, INC. A MASSACHUSETTS CORPORATION. 2004-03-18 — — US disclosed
US-6686350-B1 Cell adhesion inhibitors BIOGEN, INC. 2004-02-03 — — US disclosed
EP-0917462-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1999-05-26 — — EP disclosed
WO-1998004247-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1998-02-05 — — WO 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-20040053907-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM EGFR 4254/4885PIK3CA 4094/4885NPC1 2649/4885
US-20060030553-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM EGFR 4254/4885PIK3CA 4094/4885NPC1 2649/4885

“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.

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