SCHEMBL7657570

SCHEMBL7657570

N=C(N)NNC(=O)Cc1c[nH]c2ccc(O)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.62
ALDH1A1 P00352 4/20 0.62
TSHR P16473 3/20 0.62
LMNA P02545 3/20 0.62
CYP2C9 P11712 3/20 0.62
NFKB1 P19838 3/20 0.62
PMP22 Q01453 2/20 0.62
HPGD P15428 2/20 0.62
GLA P06280 1/20 0.62
NR4A1 P22736 1/20 0.59
HTR2C P28335 6/20 0.52
HTR1A P08908 4/20 0.52
HTR2A P28223 4/20 0.52
HTR2B P41595 4/20 0.52
CYP2D6 P10635 4/20 0.52
CYP3A4 P08684 3/20 0.52
CYP1A2 P05177 3/20 0.52
HTR7 P34969 2/20 0.52
HTR1D P28221 2/20 0.52
HTR1B P28222 2/20 0.52

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
SCHEMBL20182375 0.82 NPSR1 (0.70) NPSR1ALDH1A1TSHRLMNACYP2C9
SCHEMBL1032415 0.82 NPSR1 (0.74) NPSR1ALDH1A1TSHRLMNACYP2C9
SCHEMBL20182374 0.81 NPSR1 (0.68) NPSR1ALDH1A1TSHRLMNACYP2C9
SCHEMBL28316013 0.79 NPSR1 (0.58) NPSR1ALDH1A1TSHRLMNACYP2C9
SCHEMBL29350604 0.77 NPSR1 (1.00) NPSR1ALDH1A1TSHRLMNACYP2C9
SCHEMBL138121 0.77 NPSR1 (1.00) NPSR1ALDH1A1TSHRLMNACYP2C9
SCHEMBL14790896 0.76 NPSR1 (0.74) NPSR1ALDH1A1TSHRLMNACYP2C9
SCHEMBL7023934 0.75 LMNA (0.64) NPSR1ALDH1A1TSHRLMNACYP2C9
SCHEMBL853729 0.75 NPSR1 (0.68) NPSR1ALDH1A1TSHRLMNACYP2C9
SCHEMBL29616420 0.75 NPSR1 (0.53) NPSR1ALDH1A1TSHRLMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES NAFTCHI N E 2007-04-12 US disclosed
US-6413962-B1 ANESTHESIA AND TEMPERATURES REDUCTION; ALPHA-ADRENOCEPTOR AGONIST; RESTORATIVE TO CENTRAL NERVOUS SYSTEM, ESPECIALLY MOTOR AND SENSORY FUNCTIONAL LOSSES FROM TRAMATIC SPINAL CORD INJURIES; ANTISPASTICS; NONSEDATIVE; SIDE EFFECT REDUCTION NAFTCHI N ERIC (US) 2002-07-02 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 (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-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES ADRB2, ADRB1, CHRNA7 NPSR1 230/4885ALDH1A1 627/4885TSHR 813/4885

“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.