SCHEMBL12165173

SCHEMBL12165173

COc1ccccc1C1(O)C(N)=Nc2ccc(C)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MDM2 Q00987 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KMT2A Q03164 1/20 0.41
▸ CYP3A4 P08684 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ EHMT2 Q96KQ7 4/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ PDK2 Q15119 1/20 0.34

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
SCHEMBL12165192 0.87 EHMT2 (0.51) ALDH1A1KMT2ACYP3A4SIGMAR1EHMT2
SCHEMBL12165178 0.86 KMT2A (0.40) ALDH1A1KDM4ELMNAMDM2SMN1; SMN2
SCHEMBL12165070 0.86 SCN9A (0.45) KMT2ASIGMAR1EHMT2SCN9A
SCHEMBL12164952 0.79 RAB9A (0.37) ALDH1A1KDM4ELMNAMDM2SMN1; SMN2
SCHEMBL12165391 0.79 KMT2A (0.38) ALDH1A1KDM4ELMNAMDM2SMN1; SMN2
SCHEMBL12165055 0.78 EHMT2 (0.43) ALDH1A1KDM4ELMNAMDM2SMN1; SMN2
SCHEMBL12802716 0.77 KMT2A (0.49) ALDH1A1KDM4ELMNAMDM2SMN1; SMN2
SCHEMBL12165389 0.77 NOS3 (0.36) ALDH1A1KDM4ELMNAMDM2SMN1; SMN2
SCHEMBL12165075 0.76 CTSD (0.37) KMT2AEHMT2RAB9ASCN9A
SCHEMBL12165378 0.76 HRH4 (0.34) TDP1RAB9AATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980926-B2 2-aminoindole compounds and methods for the treatment of malaria GENZYME CORPORATION (US) 2015-03-17 — — US disclosed
US-8980926-B2 2-aminoindole compounds and methods for the treatment of malaria GENZYME CORPORATION (US) 2015-03-17 — — US disclosed
US-20120232063-A1 2-Aminoindole Compounds And Methods For The Treatment Of Malaria MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2012-09-13 — — US disclosed
US-20120232063-A1 2-Aminoindole Compounds And Methods For The Treatment Of Malaria MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2012-09-13 — — 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-20120232063-A1 2-Aminoindole Compounds And Methods For The Treatment Of Malaria PNMT, AADAT, INMT ALDH1A1 1340/4885KDM4E 1089/4885LMNA 2562/4885

“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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