Aziridine

Aziridine

SCHEMBL3858495

C1CN1.O=C(Cl)/C=C/c1ccccc1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
LMNA P02545 3/20 0.57
HDAC3 O15379 2/20 0.57
HDAC4 P56524 2/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
PLIN1 O60240 2/20 0.57
RECQL P46063 2/20 0.57
PLIN5 Q00G26 2/20 0.57
ABHD5 Q8WTS1 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 2/20 0.57
F3 P13726 2/20 0.57
TNKS O95271 1/20 0.57
HCAR2 Q8TDS4 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57

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
Aziridine SCHEMBL3858499 1.00 MAPT (0.57) MAPTLMNAHDAC3HDAC4HDAC1
SCHEMBL37936 0.92 MAPT (0.67) MAPTLMNAHDAC3HDAC4HDAC1
SCHEMBL6031974 0.92 MAPT (0.67) MAPTLMNAHDAC3HDAC4HDAC1
SCHEMBL37935 0.92 MAPT (0.67) MAPTLMNAHDAC3HDAC4HDAC1
Water SCHEMBL28081094 0.90 MAPT (0.64) MAPTLMNAHDAC3HDAC4HDAC1
Fluoride SCHEMBL28142752 0.90 MAPT (0.64) MAPTLMNAHDAC3HDAC4HDAC1
SCHEMBL27826046 0.90 MAPT (0.64) MAPTLMNAHDAC3HDAC4HDAC1
Chloroform SCHEMBL28195040 0.86 MAPT (0.59) MAPTLMNAHDAC3HDAC4HDAC1
Acetone SCHEMBL29037563 0.86 TDP1 (0.67) MAPTLMNAHDAC3HDAC4HDAC1
Chloroform SCHEMBL28195041 0.86 MAPT (0.59) MAPTLMNAHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585986-B2 Semi-synthesis of taxane intermediates and aziridine analogues and their conversion to paclitaxel and docetaxel CHATHAM BIOTEC, LIMITED (CA) 2009-09-08 US disclosed
US-20080033189-A1 Semi-Synthesis Of Taxane Intermediates And Aziridine Analogues And Their Conversion To Paclitaxel And Docetaxel CHATHAM BIOTEC, LIMITED (CA) 2008-02-07 US disclosed
US-20070027331-A1 Semi-synthesis of taxane intermediates and aziridine analogues and their conversion to paclitaxel and docetaxel INNOVATIONAL HOLDINGS LLC 2007-02-01 US disclosed
EP-1732911-A2 SEMI-SYNTHESIS OF TAXANE INTERMEDIATES AND AZIRIDINE ANALOGUES AND THEIR CONVERSION TO PACLITAXEL AND DOCETAXEL Chatham Biotec Ltd. (CA) 2006-12-20 EP disclosed
WO-2005082875-A2 SEMI-SYNTHESIS OF TAXANE INTERMEDIATES AND AZIRIDINE ANALOGUES AND THEIR CONVERSION TO PACLITAXEL AND DOCETAXEL PHYTOGEN LIFE SCIENCES INC. (CA) 2005-09-09 WO disclosed
US-20050192445-A1 Semi-synthesis of taxane intermediates and aziridine analogues and their conversion to paclitaxel and docetaxel PHYTOGEN LIFE SCIENCES INC. (CA) 2005-09-01 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-20070027331-A1 Semi-synthesis of taxane intermediates and aziridine analogues and their conversion to paclitaxel and docetaxel CIAPIN1, CYP1B1, BRPF1 MAPT 1077/4885LMNA 2367/4885HDAC3 2362/4885
US-20050192445-A1 Semi-synthesis of taxane intermediates and aziridine analogues and their conversion to paclitaxel and docetaxel CIAPIN1, CYP1B1, BRPF1 MAPT 1077/4885LMNA 2367/4885HDAC3 2362/4885
US-20080033189-A1 Semi-Synthesis Of Taxane Intermediates And Aziridine Analogues And Their Conversion To Paclitaxel And Docetaxel CIAPIN1, CYP1B1, AZI2 MAPT 1233/4885LMNA 2135/4885HDAC3 2276/4885

“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.