SCHEMBL11599997

SCHEMBL11599997

C[C@H](N)C(=O)c1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 1/20 0.40
HSPA5 P11021 1/20 0.39
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CIT O14578 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CSNK1A1 P48729 1/20 0.33
TYRO3 Q06418 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
FFAR2 O15552 1/20 0.33
GLA P06280 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33

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
SCHEMBL28612372 1.00 NPC1 (0.46) NPC1RAB9AKMT2AHSPA5ALDH1A1
Hydrochloric Acid SCHEMBL17275456 0.98 NPC1 (0.45) NPC1RAB9AKMT2AHSPA5ALDH1A1
Hydrochloric Acid SCHEMBL17275457 0.98 NPC1 (0.45) NPC1RAB9AKMT2AHSPA5ALDH1A1
SCHEMBL6666888 0.84 NPC1 (0.49) NPC1RAB9AKMT2AHSPA5ALDH1A1
SCHEMBL28882574 0.82 NPC1 (0.47) NPC1RAB9AKMT2AHSPA5ALDH1A1
Isopropylamine SCHEMBL29160617 0.81 NPC1 (0.46) NPC1RAB9AKMT2AHSPA5ALDH1A1
SCHEMBL6281989 0.79 NPC1 (0.47) NPC1RAB9AKMT2AHSPA5ALDH1A1
SCHEMBL5160058 0.79 NPC1 (0.45) NPC1RAB9AKMT2AHSPA5ALDH1A1
SCHEMBL23878522 0.78 NPC1 (0.44) NPC1RAB9AKMT2AHSPA5ALDH1A1
SCHEMBL7196095 0.78 NPC1 (0.46) NPC1RAB9AKMT2AHSPA5ALDH1A1

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
CN-106661084-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2021-08-31 CN disclosed
EP-3145944-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2021-05-05 EP disclosed
US-10392422-B2 Macrocyclic broad spectrum antibiotics RQX PHARMACEUTICALS, INC. (US) 2019-08-27 US disclosed
US-10351595-B2 2019-07-16 US disclosed
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2017-03-30 US disclosed
WO-2015179441-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2015-11-26 WO disclosed
US-4081509-A Method for removing nitrogen oxides from flue gas by absorption HITACHI, LTD. (JA) 1978-03-28 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 (3 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-10351595-B2 MRPL21, PRSS1, PEPD NPC1 2590/4885RAB9A 2193/4885KMT2A 4084/4885
US-10392422-B2 Macrocyclic broad spectrum antibiotics MRPL21, PEPD, CTSC NPC1 1905/4885RAB9A 2372/4885KMT2A 3283/4885
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC NPC1 1905/4885RAB9A 2372/4885KMT2A 3283/4885

“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.