SCHEMBL7600302

SCHEMBL7600302

N=C(Nc1ccc(C2CCCC2)c(CN2CCC[C@H]2CO)c1)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SPHK1 Q9NYA1 6/20 0.41
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SPHK2 Q9NRA0 5/20 0.37
TERT O14746 2/20 0.37
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
PDCD1LG2 Q9BQ51 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
QRFPR Q96P65 2/20 0.35
ACKR3 P25106 1/20 0.35
NTRK1 P04629 1/20 0.35
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 1/20 0.35
KCNH2 Q12809 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7598793 1.00 LMNA (0.42) LMNAALDH1A1SPHK1MEN1MAPT
SCHEMBL7599133 0.84 ALDH1A1 (0.40) LMNAALDH1A1SPHK1MEN1MAPT
SCHEMBL7696514 0.84 LMNA (0.41) LMNAALDH1A1SPHK1MEN1MAPT
SCHEMBL7605866 0.84 QRFPR (0.49) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL7602441 0.84 QRFPR (0.49) LMNAALDH1A1MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL7602946 0.83 QRFPR (0.48) LMNAALDH1A1MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL7597208 0.83 QRFPR (0.48) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL7598672 0.83 ACKR3 (0.46) LMNAALDH1A1SPHK1SPHK2ACKR3
SCHEMBL7600199 0.83 ACKR3 (0.46) LMNAALDH1A1SPHK1SPHK2ACKR3
SCHEMBL7598614 0.83 QRFPR (0.41) LMNAALDH1A1MEN1MAPTKMT2A

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
US-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2002-09-26 US claimed
WO-2001046171-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO claimed
US-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2002-09-26 US disclosed
WO-2001046171-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 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-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase NOS1, NOS2, NOS3 LMNA 1976/4885ALDH1A1 449/4885SPHK1 3462/4885

“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.