SCHEMBL5467787

SCHEMBL5467787

N=C(N)NNC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.49
ALDH1A1 P00352 3/20 0.49
POLB P06746 1/20 0.46
PPIA P62937 1/20 0.45
JAK2 O60674 2/20 0.45
TYK2 P29597 2/20 0.45
HPGD P15428 1/20 0.45
CYP3A4 P08684 1/20 0.45
JAK1 P23458 1/20 0.45
KMT2A Q03164 1/20 0.44
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
TAS1R2 Q8TE23 2/20 0.43

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
SCHEMBL8668403 0.83 MAPT (0.47) GAAALDH1A1PPIAJAK2TYK2
Hydrochloric Acid SCHEMBL7942179 0.81 MAPT (0.46) GAAALDH1A1PPIAJAK2TYK2
SCHEMBL8731612 0.80 POLB (0.75) GAAALDH1A1POLBHPGDKMT2A
SCHEMBL8857056 0.75 GAA (0.53) GAAALDH1A1POLBJAK2TYK2
SCHEMBL11440641 0.75 JAK2 (0.53) GAAALDH1A1PPIAJAK2TYK2
SCHEMBL4377125 0.74 ALDH1A1 (0.56) GAAALDH1A1POLBJAK2TYK2
SCHEMBL14520110 0.74 KMT2A (0.53) GAACYP3A4KMT2A
SCHEMBL8731678 0.74 PARP1 (0.58) GAAALDH1A1KMT2A
SCHEMBL13479733 0.72 ALDH1A1 (0.53) GAAALDH1A1POLBJAK2TYK2
SCHEMBL8726690 0.72 MAOA (0.59) GAAALDH1A1POLBCYP3A4KMT2A

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 5 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-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES NAFTCHI N E 2007-04-12 US disclosed
US-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES NAFTCHI N E 2007-04-12 US disclosed
US-7109329-B2 Neurologically active compounds and compounds with multiple activities NAFTCHI N ERIC 2006-09-19 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 GAA 256/4885ALDH1A1 627/4885POLB 2849/4885

“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.