SCHEMBL4460823

SCHEMBL4460823

Clc1[c]c2ccccc2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.38
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
PSMB8 P28062 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9813983 0.74 PSMB8 (0.38) AHRPSMB8MEN1KMT2ASMN1; SMN2
SCHEMBL5887130 0.72 AHR (0.42) AHRMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL1398542 0.71 MAPT (0.31) SMN1; SMN2NPC1TP53KDM4EALDH1A1
SCHEMBL2118528 0.71 HPGD (0.31) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL9399613 0.71 MAOB (0.32) SMN1; SMN2KDM4EALDH1A1GLACYP3A4
SCHEMBL11456159 0.71 MAOA (0.34) PSMB8MEN1KMT2ASMN1; SMN2TP53
SCHEMBL4801188 0.71 NPC1 (0.41) PSMB8MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7974023 0.71 NOS1 (0.40) PSMB8SMN1; SMN2NPC1TP53NFKB1
SCHEMBL7974028 0.71 HSD17B10 (0.37) PSMB8SMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL6589680 0.67 CYP2A6 (0.38) PSMB8TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521454-B2 Adenine derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-04-21 US disclosed
EP-1386923-B1 NOVEL ADENINE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO (JP) 2008-08-13 EP disclosed
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-02-15 US disclosed
US-7157465-B2 Adenine derivatives DAINIPPON SIMITOMO PHARMA CO., LTD. (JP) 2007-01-02 US disclosed
CN-1250548-C Novel adenine derivatives SUMITOMO PHARMA (JP) 2006-04-12 CN disclosed
CN-1512992-A Novel adenine derivatives ס����ҩ��ʽ���� 2004-07-14 CN disclosed
US-20040132748-A1 Novel adenne derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-08 US disclosed
EP-1386923-A1 NOVEL ADENINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 EP disclosed
US-6268514-B1 TREATING INDUSTRIAL MATERIALS WITH NITROETHANE COMPOUND FOR PROTECTING AGAINST ATTACK AND DESTRUCTION BY MICROORGANISMS BASF AKTIENGESELLSCHAFT (DE) 2001-07-31 US disclosed
US-4829075-A ANTIPROTOZOA, BACTERICIDES, YEASTS HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-09 US disclosed
EP-0237916-A2 1,1-Disubstituted cyclopropane derivatives, processes for their preparation and their use as antimycotics or as intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1987-09-23 EP 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 (2 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-20040132748-A1 Novel adenne derivatives IRF3, IFNAR1, STING1 AHR 187/4885GABRP 4212/4885GABRD 4548/4885
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis IRF3, IFNAR1, IFNG AHR 70/4885GABRP 3718/4885GABRD 4471/4885

“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.