SCHEMBL15628457

SCHEMBL15628457

CO[C@H](c1ccc(N2CCCCC2)cc1)[C@H](N)CF

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ GAA P10253 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HIF1A Q16665 3/20 0.36
▸ TDP1 Q9NUW8 2/20 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
SCHEMBL15628607 0.99 ALDH1A1 (0.38) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL14023911 0.87 ALDH1A1 (0.41) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL19062581 0.87 ALDH1A1 (0.41) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL15628603 0.86 ADRB1 (0.48) ALDH1A1KDM4ELMNACYP2C19
SCHEMBL20026130 0.85 ALDH1A1 (0.42) ALDH1A1KDM4EHIF1A
SCHEMBL15628442 0.84 ALDH1A1 (0.46) ALDH1A1KDM4E
SCHEMBL15628549 0.81 DPP4 (0.35) DPP4DPP7
SCHEMBL15628606 0.81 DPP4 (0.35) DPP4DPP7
SCHEMBL15628460 0.81 LGMN (0.42) ALDH1A1MAPTL3MBTL1RAB9AMEN1
SCHEMBL15628486 0.80 RXRA (0.36) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-04-05 — — US disclosed
US-9006189-B2 Triazole compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-04-14 — — US disclosed
US-20140088031-A1 Triazole Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2014-03-27 — — 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 (2 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-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same IL33, PROKR1, VIP ALDH1A1 3532/4885GAA 719/4885MAPT 3970/4885
US-20140088031-A1 Triazole Compounds and Methods of Making and Using the Same IL33, PROKR1, VIP ALDH1A1 3532/4885GAA 719/4885MAPT 3970/4885

“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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