Sugi Predict

Sugi Predict / Compounds / SCHEMBL10111995

SCHEMBL10111995

SCHEMBL10111995

CNC(=O)Oc1cc2c(c3ccccc13)C(CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ RCOR1 Q9UKL0 1/20 0.39
▸ EGFR P00533 7/20 0.39
▸ PIK3CA P42336 7/20 0.39
▸ PYGL P06737 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ADH1A P07327 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ FLT4 P35916 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ ABL2 P42684 1/20 0.38
▸ APP P05067 1/20 0.36
▸ IMPDH2 P12268 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PIN1 Q13526 1/20 0.36

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
SCHEMBL468987 0.94 ADH1A (0.37) NPC1RAB9AKDM1ARCOR1EGFR
SCHEMBL468976 0.94 NPC1 (0.39) NPC1RAB9AKDM1ARCOR1EGFR
SCHEMBL10111909 0.93 NPC1 (0.42) NPC1RAB9AKDM1ARCOR1EGFR
SCHEMBL15047618 0.93 EGFR (0.41) NPC1RAB9AKDM1ARCOR1EGFR
SCHEMBL17413316 0.92 NPC1 (0.38) NPC1RAB9AKDM1ARCOR1EGFR
SCHEMBL22512603 0.92 NPC1 (0.46) NPC1RAB9AKDM1ARCOR1EGFR
SCHEMBL13669002 0.91 MMP13 (0.40) NPC1RAB9AKDM1ARCOR1EGFR
SCHEMBL21094250 0.90 NPC1 (0.41) NPC1RAB9AKDM1ARCOR1EGFR
SCHEMBL22512600 0.90 EGFR (0.42) NPC1RAB9AKDM1ARCOR1EGFR
SCHEMBL15765368 0.90 ADH1A (0.38) NPC1RAB9AKDM1ARCOR1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8105568-B2 Vitamin receptor binding drug delivery conjugates ENDOCYTE, INC. (US) 2012-01-31 — — US disclosed
US-8105568-B2 Vitamin receptor binding drug delivery conjugates ENDOCYTE, INC. (US) 2012-01-31 — — US disclosed
US-20100004276-A1 VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES VLAHOV IONTCHO R 2010-01-07 — — US disclosed
US-20100004276-A1 VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES VLAHOV IONTCHO R 2010-01-07 — — US disclosed
US-7601332-B2 Minimized toxicity; eliminating pathogenic cell populations; synthesis; claimed intermediates ENDOCYTE, INC. (US) 2009-10-13 — — US disclosed
US-7601332-B2 Minimized toxicity; eliminating pathogenic cell populations; synthesis; claimed intermediates ENDOCYTE, INC. (US) 2009-10-13 — — 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-20100004276-A1 VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES VDR, CYP2R1, CYP24A1 NPC1 1188/4885RAB9A 2572/4885KDM1A 3224/4885

“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.