SCHEMBL589838

SCHEMBL589838

CC(NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.63
▸ ALDH1A1 P00352 3/20 0.63
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ PKM P14618 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ KCNMA1 Q12791 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ P2RX1 P51575 1/20 0.44
▸ IDO1 P14902 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ AGTR1 P30556 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 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
SCHEMBL589998 0.82 NPC1 (0.57) ALDH1A1NPC1RAB9AIDO1
SCHEMBL3537551 0.77 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1KMT2APOLBKCNMA1
SCHEMBL46863 0.76 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1KMT2AMEN1POLB
SCHEMBL27626419 0.75 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL339922 0.75 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1KMT2AMEN1PKM
SCHEMBL26099699 0.74 ALDH1A1 (0.54) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL26099697 0.74 ALDH1A1 (0.54) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL6591721 0.74 P2RX1 (0.64) SMN1; SMN2ALDH1A1KMT2AMEN1KCNMA1
SCHEMBL19554297 0.74 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1KMT2AMEN1POLB
SCHEMBL25391003 0.73 RAB9A (0.57) SMN1; SMN2NPC1RAB9AIDO1KDM4E

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-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 SMN1; SMN2 4856/4885ALDH1A1 993/4885NPC1 4477/4885

“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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