SCHEMBL12805002

SCHEMBL12805002

O=C1Nc2ccc(F)cc2/C1=N/N=C1\C(=O)Nc2ccc(OC(F)(F)F)cc21

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.62
▸ LRRK2 Q5S007 5/20 0.60
▸ CA1 P00915 6/20 0.57
▸ CA2 P00918 6/20 0.57
▸ MAP3K7 O43318 2/20 0.55
▸ TAB1 Q15750 2/20 0.55
▸ RET P07949 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ ABL1 P00519 1/20 0.44
▸ TGM2 P21980 1/20 0.43
▸ GPR3 P46089 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
SCHEMBL12805007 1.00 CES1 (0.62) CES1LRRK2CA1CA2MAP3K7
SCHEMBL12804862 0.87 LRRK2 (0.67) CES1LRRK2CA1CA2MAP3K7
SCHEMBL12804858 0.87 LRRK2 (0.67) CES1LRRK2CA1CA2MAP3K7
SCHEMBL12938093 0.84 LRRK2 (0.63) LRRK2CA1CA2MAP3K7TAB1
SCHEMBL9472806 0.82 CES1 (0.67) CES1LRRK2CA1CA2MAP3K7
SCHEMBL9472812 0.82 CES1 (0.67) CES1LRRK2CA1CA2MAP3K7
SCHEMBL5740125 0.82 CA1 (0.67) CES1LRRK2CA1CA2MAP3K7
SCHEMBL31491981 0.82 CES1 (0.55) CES1LRRK2CA1CA2MAP3K7
SCHEMBL12805384 0.77 LRRK2 (0.62) LRRK2CA1CA2MAP3K7TAB1
SCHEMBL12805383 0.77 LRRK2 (0.62) LRRK2CA1CA2MAP3K7TAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2508512-B1 Novel N,N'-hydrazino-bis-isatin derivatives with selective activity against multidrug-resistant cancer cells UNIV KING SAUD (SA) 2013-07-31 — — EP disclosed
US-8497296-B2 N,N′-hydrazino-bis-isatin derivatives with selective activity against multidrug-resistant cancer cells KING SAUD UNIVERSITY (SA) 2013-07-30 — — US disclosed
US-8497296-B2 N,N′-hydrazino-bis-isatin derivatives with selective activity against multidrug-resistant cancer cells KING SAUD UNIVERSITY (SA) 2013-07-30 — — US disclosed
US-8497296-B2 N,N′-hydrazino-bis-isatin derivatives with selective activity against multidrug-resistant cancer cells KING SAUD UNIVERSITY (SA) 2013-07-30 — — US disclosed
EP-2508512-A1 Novel N,N'-hydrazino-bis-isatin derivatives with selective activity against multidrug-resistant cancer cells King Saud University (SA) 2012-10-10 — — EP disclosed
US-20120252860-A1 Novel N, N'-Hydrazino-bis-isatin Derivatives with Selective Activity Against Multidrug-Resistant Cancer Cells KING SAUD UNIVERSITY (SA) 2012-10-04 — — US disclosed
US-20120252860-A1 Novel N, N'-Hydrazino-bis-isatin Derivatives with Selective Activity Against Multidrug-Resistant Cancer Cells KING SAUD UNIVERSITY (SA) 2012-10-04 — — US disclosed
US-20120252860-A1 Novel N, N'-Hydrazino-bis-isatin Derivatives with Selective Activity Against Multidrug-Resistant Cancer Cells KING SAUD UNIVERSITY (SA) 2012-10-04 — — 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-20120252860-A1 Novel N, N'-Hydrazino-bis-isatin Derivatives with Selective Activity Against Multidrug-Resistant Cancer Cells ABCC1, ABCC3, ABCF1 CES1 1308/4885LRRK2 3240/4885CA1 3387/4885

“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.

Send feedback