SCHEMBL3858019

SCHEMBL3858019

C[C@@H](N)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
LMNA P02545 2/20 0.57
MEN1 O00255 1/20 0.54
HPGD P15428 1/20 0.54
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 4/20 0.53
ACHE P22303 1/20 0.53
ACP3 P15309 1/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.48
ALOX15 P16050 1/20 0.48
CA2 P00918 1/20 0.47
CA5A P35218 1/20 0.47
HSP90AA1 P07900 1/20 0.47
GRM8 O00222 1/20 0.47
GRM4 Q14833 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL6359586 1.00 TSHR (0.57) TSHRLMNAMEN1HPGDKMT2A
SCHEMBL3474257 1.00 TSHR (0.57) TSHRLMNAMEN1HPGDKMT2A
SCHEMBL6359584 1.00 TSHR (0.57) TSHRLMNAMEN1HPGDKMT2A
SCHEMBL2433538 1.00 TSHR (0.57) TSHRLMNAMEN1HPGDKMT2A
Hydrochloric Acid SCHEMBL6359108 0.98 MEN1 (0.56) TSHRLMNAMEN1HPGDKMT2A
Hydrochloric Acid SCHEMBL3861536 0.98 MEN1 (0.56) TSHRLMNAMEN1HPGDKMT2A
Hydrochloric Acid SCHEMBL3829217 0.98 MEN1 (0.56) TSHRLMNAMEN1HPGDKMT2A
Hydrochloric Acid SCHEMBL667745 0.98 MEN1 (0.56) TSHRLMNAMEN1HPGDKMT2A
SCHEMBL254876 0.85 TSHR (0.61) TSHRLMNAMEN1HPGDKMT2A
SCHEMBL2121190 0.85 TSHR (0.61) TSHRLMNAMEN1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971582-B1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2012-10-10 EP disclosed
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 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-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 TSHR 799/4885LMNA 217/4885MEN1 970/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 TSHR 799/4885LMNA 217/4885MEN1 970/4885

“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.