SCHEMBL6724829

SCHEMBL6724829

N=C(Nc1ccc2c(c1)Cc1ccccc1-2)Nc1ccc2c3c(cccc13)C=C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.48
CYP3A4 P08684 1/20 0.48
ADRA2A P08913 1/20 0.46
MAOA P21397 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2C P28335 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR2B P41595 1/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 3/20 0.46
KDM4E B2RXH2 4/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 2/20 0.42
CYP2C9 P11712 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL6720242 0.84 CYP1A2 (0.45) CYP1A2CYP3A4ADRA2AMAOASLC6A2
SCHEMBL6719137 0.81 HTR7 (0.31) HTR2BRAB9A
SCHEMBL6720870 0.81 CYP1A2 (0.46) CYP1A2CYP3A4ADRA2AMAOASLC6A2
Hydrochloric Acid SCHEMBL8716862 0.81 HTR2B (0.32) HTR2B
SCHEMBL4981643 0.80 CYP1A2 (0.71) CYP1A2CYP3A4ADRA2AMAOASLC6A2
Bromide SCHEMBL5461853 0.79 CYP1A2 (0.69) CYP1A2CYP3A4ADRA2AMAOASLC6A2
SCHEMBL6719459 0.79 CYP1A2 (0.36) CYP1A2CYP3A4ADRA2AMAOASLC6A2
SCHEMBL6717108 0.79 CMA1 (0.43) CYP1A2RAB9ANPC1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8716713 0.78 CMA1 (0.42) CYP1A2RAB9ANPC1KDM4EALDH1A1
SCHEMBL6716775 0.78 CMA1 (0.39) RAB9ANPC1KDM4EMEN1KMT2A

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-5847006-A Therapeutic guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-12-08 US claimed
US-6673557-B2 ADMINISTERING SUBSTITUED GUANIDINE COMPOUNDS FOR THERAPY OF DECREASED BLOOD FLOW OR NUTRIENT SUPPLY TO RETINAL TISSUE OR OPTIC NERVE, OR RETINAL ISCHEMIA OR TRAUMA, OR OPTIC NERVE INJURY WYETH 2004-01-06 US disclosed
US-20030027801-A1 Methods of treatment of eye trauma and disorders WYETH 2003-02-06 US disclosed
US-6358696-B1 ADMINISTERING THERAPEUTICALLY EFFECTIVE AMOUNT OF ONE OR MORE SUBSTITUTED GUANIDINES TO TREAT DECREASED BLOOD FLOW OR NUTRIENT SUPPLY TO RETINAL TISSUE OR OPTIC NERVE, OR RETINAL ISCHEMIA OR TRAUMA, OR OPTIC NERVE INJURY WYETH 2002-03-19 US disclosed
US-6242198-B1 ADMINISTERING GUANIDINE COMPOUND CAMBRIDGE NEUROSCIENCE, INC. 2001-06-05 US disclosed
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO disclosed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 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-20030027801-A1 Methods of treatment of eye trauma and disorders RBP4, ALDH1A2, RBP1 CYP1A2 4444/4885CYP3A4 4594/4885ADRA2A 1716/4885

“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.