SCHEMBL214382

SCHEMBL214382

Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1ccc(OCC2CCNCC2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ MAPT P10636 5/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ GAA P10253 3/20 0.45
▸ LMNA P02545 1/20 0.42
▸ MEN1 O00255 4/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KDM1A O60341 2/20 0.40
▸ HPGD P15428 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ RAB9A P51151 1/20 0.37
▸ KHK P50053 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ RCOR1 Q9UKL0 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
Hydrochloric Acid SCHEMBL215125 0.99 ALDH1A1 (0.45) ALDH1A1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL215162 0.92 KDM4E (0.52) ALDH1A1KMT2AMAPTSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL215996 0.91 KDM4E (0.51) ALDH1A1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL14222256 0.90 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL213423 0.89 MAPT (0.48) ALDH1A1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL214621 0.87 ALDH1A1 (0.39) ALDH1A1KMT2AMAPTSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL216278 0.86 ALDH1A1 (0.39) ALDH1A1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL14222313 0.82 KDM4E (0.52) ALDH1A1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL2759960 0.81 KDM4E (0.50) ALDH1A1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL2735394 0.81 ALDH1A1 (0.42) ALDH1A1KMT2AMAPTSMN1; SMN2KDM4E

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
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 — — US claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 — — US claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 — — US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 — — US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 — — US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 — — US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 — — US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 — — 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 ALDH1A1 4295/4885KMT2A 437/4885MAPT 2138/4885

“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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