SCHEMBL8664733

SCHEMBL8664733

O=[N+]([O-])c1cnccc1NCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
MAPT P10636 5/20 0.55
LMNA P02545 2/20 0.55
PKM P14618 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
USP2 O75604 1/20 0.54
HTT P42858 1/20 0.54
RECQL P46063 1/20 0.54
POLB P06746 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
KDM4E B2RXH2 1/20 0.54
KDM6B O15054 1/20 0.54
KDM4A O75164 1/20 0.54
KDM4D Q6B0I6 1/20 0.54
KDM4C Q9H3R0 1/20 0.54
TP53 P04637 1/20 0.51
TDP1 Q9NUW8 1/20 0.49
HTR6 P50406 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL8567878 0.88 KDM4C (0.57) ALDH1A1MAPTLMNAPKMMEN1
SCHEMBL3599482 0.86 ALDH1A1 (0.64) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL4721194 0.82 MEN1 (0.51) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL9540575 0.81 MAPT (0.63) ALDH1A1MAPTLMNAPKMHTT
SCHEMBL102602 0.81 MAPT (0.77) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL9368494 0.81 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL8252211 0.80 ALDH1A1 (0.53) ALDH1A1MAPTLMNAPKMMEN1
SCHEMBL9369879 0.79 ALDH1A1 (0.52) ALDH1A1MAPTLMNAPKMMEN1
SCHEMBL28570276 0.78 ALDH1A1 (0.56) ALDH1A1MAPTLMNAPKMMEN1
SCHEMBL2337025 0.78 ALDH1A1 (0.56) ALDH1A1MAPTLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127231-A1 PROCESS FOR THE PREPARTION OF AMIFAMPRIDINE PHOSPHATE SHILPA MEDICARE LTD (IN) 2022-04-28 US disclosed
US-10471139-B2 Toll-like receptor agonists THE UNIVERSITY OF KANSAS (US) 2019-11-12 US disclosed
WO-2017168333-A1 AMIFAMPRIDINE DIHYDROCHLORIDE SHILPA MEDICARE LIMITED (IN) 2017-10-05 WO disclosed
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS 2016-06-16 US disclosed
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS 2016-06-16 US disclosed
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS 2016-06-16 US disclosed
WO-2015023958-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS (US) 2015-02-19 WO disclosed
WO-2015022332-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 WO disclosed
WO-2015023958-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS (US) 2015-02-19 WO disclosed
US-5723468-A COGNITION ACTIVATORS FOR MEMOY LOSS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-03 US disclosed
US-5571819-A Imidazopyridines as muscarinic agents WYETH 1996-11-05 US disclosed
EP-0399653-B1 Anticonvulsant triazolo[4,5-c]pyridine derivatives WELLCOME FOUND (GB) 1994-10-19 EP disclosed
US-5240937-A Treatment of epilepsy BURROUGHS WELLCOME CO. (US) 1993-08-31 US disclosed
EP-0399653-A1 Anticonvulsant triazolo[4,5-c]pyridine derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1990-11-28 EP disclosed
EP-0156495-A1 Diaminopyridines via hydrogenation of nitrobenzylaminopyridines ELI LILLY AND COMPANY (US) 1985-10-02 EP 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-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS TLR1, TLR7, TLR8 ALDH1A1 1952/4885MAPT 323/4885LMNA 445/4885
US-20220127231-A1 PROCESS FOR THE PREPARTION OF AMIFAMPRIDINE PHOSPHATE PMM2, TYMP, MVD ALDH1A1 964/4885MAPT 3088/4885LMNA 1525/4885
US-10471139-B2 Toll-like receptor agonists TLR1, TLR7, TLR8 ALDH1A1 1952/4885MAPT 323/4885LMNA 445/4885

“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.