SCHEMBL16825786

SCHEMBL16825786

Nc1n[nH]c(N2CCC(CC(=O)Nc3ccc(Br)cc3)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ CHIT1 Q13231 1/20 0.45
▸ GPR183 P32249 1/20 0.43
▸ SMYD3 Q9H7B4 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ FPR2 P25090 3/20 0.41
▸ NAMPT P43490 2/20 0.41
▸ PAK1 Q13153 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MEN1 O00255 2/20 0.40

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
SCHEMBL16825693 0.83 PAK1 (0.57) KMT2ARAB9ANPC1FPR2PAK1
SCHEMBL16825788 0.80 CHIT1 (0.47) CHIT1FPR2
SCHEMBL16825729 0.80 CHIT1 (0.71) KMT2ACHIT1KDM4ELMNAPAK1
SCHEMBL16825818 0.78 SIGMAR1 (0.52) RAB9ACHIT1L3MBTL1LMNAPAK1
SCHEMBL16825712 0.75 LMNA (0.50) CHIT1KDM4ELMNAFPR2TP53
SCHEMBL16825767 0.75 CHIT1 (0.47) KMT2ANPC1CHIT1ALDH1A1MEN1
SCHEMBL7401491 0.74 KMT2A (0.87) KMT2ARAB9ANPC1SMYD3KDM4E
SCHEMBL16846197 0.73 CHIT1 (0.42) CHIT1
SCHEMBL16826396 0.73 CHIT1 (0.57) KMT2ACHIT1KDM4ELMNAALDH1A1
SCHEMBL16825811 0.72 MEN1 (0.56) KMT2ACHIT1L3MBTL1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082805-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME The Institute For Drug Delivery (US) 2016-10-26 — — EP claimed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US claimed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 — — WO claimed
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 — — EP disclosed
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 — — EP disclosed
EP-3082805-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME The Institute For Drug Delivery (US) 2016-10-26 — — EP disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US disclosed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 — — WO disclosed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 — — WO 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-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME CMA1, CHIA, AADAC KMT2A 1919/4885RAB9A 3798/4885NPC1 1689/4885

“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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