SCHEMBL589998

SCHEMBL589998

CC(NC(=O)c1cc(Cl)ccc1N)C1CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ FADS1 O60427 2/20 0.51
▸ GCK P35557 2/20 0.47
▸ IDO1 P14902 5/20 0.46
▸ SMYD3 Q9H7B4 1/20 0.45
▸ P2RX7 Q99572 2/20 0.44
▸ CCR2 P41597 1/20 0.43
▸ RECQL P46063 1/20 0.42
▸ CHRNA1 P02708 1/20 0.41
▸ CYP2C8 P10632 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL13761455 0.82 FADS1 (0.55) FADS1GCKRECQLALDH1A1
SCHEMBL589838 0.82 SMN1; SMN2 (0.63) NPC1RAB9AIDO1ALDH1A1
SCHEMBL2694674 0.81 NPC1 (0.54) NPC1RAB9AIDO1SMYD3P2RX7
SCHEMBL591754 0.80 NPC1 (0.47) NPC1RAB9AIDO1SMYD3P2RX7
SCHEMBL26099697 0.78 ALDH1A1 (0.54) NPC1RAB9AP2RX7ALDH1A1
SCHEMBL589973 0.78 NPC1 (0.46) NPC1RAB9AIDO1SMYD3P2RX7
SCHEMBL26099699 0.78 ALDH1A1 (0.54) NPC1RAB9AP2RX7ALDH1A1
SCHEMBL25391003 0.77 RAB9A (0.57) NPC1RAB9AIDO1SMYD3P2RX7
SCHEMBL22768700 0.77 RAB9A (0.57) NPC1RAB9AIDO1SMYD3P2RX7
SCHEMBL28115234 0.76 NPC1 (0.44) NPC1RAB9AIDO1SMYD3P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104496901-B The manufacture method of anthranilamide compound ISHIHARA SANGYO KAISHA, LTD. (JP) 2016-05-25 — — CN disclosed
CN-103204811-B Process for production of anthranilamide compound ISHIHARA SANGYO KAISHA 2015-02-04 — — CN disclosed
EP-2093223-B1 PROCESS AND INTERMEDIATES FOR PRODUCTION OF AN ANTHRANILAMIDE COMPOUND ISHIHARA SANGYO KAISHA (JP) 2013-08-21 — — EP disclosed
CN-103204811-A Process For Production Of Anthranilamide Compound ISHIHARA SANGYO KAISHA 2013-07-17 — — CN disclosed
CN-101558056-B Process for producing anthranilamide compound ISHIHARA SANGYO KAISHA 2013-05-01 — — CN disclosed
US-8115006-B2 Process for producing anthranilamide compound ISHIHARA SANGYO KAISHA, LTD. (JP) 2012-02-14 — — US disclosed
US-20100063293-A1 PROCESS FOR PRODUCING ANTHRANILAMIDE COMPOUND ISHIHARA SANGYO KAISHA ,LTD. (JP) 2010-03-11 — — US disclosed
CN-101558056-A Process for producing anthranilamide compound ISHIHARA SANGYO KAISHA (JP) 2009-10-14 — — CN disclosed
EP-2093223-A1 PROCESS FOR PRODUCTION OF ANTHRANILAMIDE COMPOUND ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-08-26 — — 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-20100063293-A1 PROCESS FOR PRODUCING ANTHRANILAMIDE COMPOUND NAAA, AAAS, AADAC NPC1 4477/4885RAB9A 146/4885FADS1 1186/4885

“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