SCHEMBL5458452

SCHEMBL5458452

N=C(N)N/N=C/c1c(Cl)cccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ SLC22A1 O15245 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ TBXA2R P21731 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ ADRA1D P25100 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ ADRA1A P35348 1/20 0.41

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
SCHEMBL5458453 1.00 HTT (0.47) HTTPOLBNPSR1MEN1KMT2A
Acetic Acid SCHEMBL21519581 0.92 CYP1A2 (0.49) HTTPOLBNPSR1MEN1KMT2A
SCHEMBL5462172 0.89 POLB (0.39) HTTPOLBNPSR1KMT2AMAPT
SCHEMBL5462169 0.89 POLB (0.39) HTTPOLBNPSR1KMT2AMAPT
Guanabenz SCHEMBL6302549 0.89 POLB (0.57) HTTPOLBNPSR1MEN1KMT2A
Guanabenz SCHEMBL4103258 0.89 POLB (0.57) HTTPOLBNPSR1MEN1KMT2A
Guanabenz SCHEMBL15389 0.89 POLB (0.57) HTTPOLBNPSR1MEN1KMT2A
Guanabenz SCHEMBL22616213 0.87 POLB (0.55) HTTPOLBNPSR1MEN1KMT2A
Guanabenz SCHEMBL11685908 0.87 POLB (0.55) HTTPOLBNPSR1MEN1KMT2A
Guanabenz SCHEMBL22616212 0.87 POLB (0.55) HTTPOLBNPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190330157-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2019-10-31 — — 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-20040092536-A1 Neurologically active compounds and compounds with multiple activities NAFTCHI N ERIC (US) 2004-05-13 — — 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
US-5958933-A HAVING A GUANIDINO GROUP ALIPHATICALLY LINKED TO A XANTHINE GROUP, ADRENERGIC STIMULANTS NAFTCHI N ERIC (US) 1999-09-28 — — US disclosed
US-4060640-A O-HALOBENZYLIDENEAMINO GUANIDINES, CNS DEPRESSANT SHELL OIL COMPANY (US) 1977-11-29 — — US disclosed
US-3975533-A O-HALOBENZYLIDENEAMINOGUANIDINES, ANTIDEPRESSANT SHELL OIL COMPANY (US) 1976-08-17 — — 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 (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-20190330157-A1 THERAPEUTIC COMPOUNDS OPRL1, INA, OGFR HTT 766/4885POLB 4376/4885NPSR1 82/4885
US-20040092536-A1 Neurologically active compounds and compounds with multiple activities ACHE, GRIN2A, GRIK2 HTT 62/4885POLB 2977/4885NPSR1 2024/4885
US-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES ADRB2, ADRB1, CHRNA7 HTT 1343/4885POLB 2849/4885NPSR1 230/4885

“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.

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