SCHEMBL2252185

SCHEMBL2252185

Nc1c[c]cc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.52
▸ HSD17B10 Q99714 5/20 0.52
▸ HPGD P15428 5/20 0.52
▸ TSHR P16473 4/20 0.52
▸ CYP3A4 P08684 4/20 0.52
▸ KEAP1 Q14145 1/20 0.52
▸ HPRT1 P00492 2/20 0.39
▸ TDP1 Q9NUW8 3/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ KDM4E B2RXH2 5/20 0.37
▸ CASP1 P29466 3/20 0.37
▸ CASP7 P55210 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ GLA P06280 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ POLB P06746 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ MAPT P10636 2/20 0.37

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
SCHEMBL2252631 0.80 ALDH1A1 (0.40) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL4474923 0.73 CYP1A2 (0.54) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL2252181 0.73 ALDH1A1 (0.54) ALDH1A1HSD17B10HPGDTSHRCYP3A4
Water SCHEMBL5623206 0.72 ALDH1A1 (0.94) ALDH1A1HSD17B10HPGDTSHRCYP3A4
Water SCHEMBL3981103 0.72 ALDH1A1 (0.94) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL456099 0.71 ALDH1A1 (0.38) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL457506 0.71 ALDH1A1 (0.38) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL455834 0.71 HPRT1 (0.39) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL455474 0.71 CYP2A6 (0.52) ALDH1A1HSD17B10HPGDTSHRHPRT1
SCHEMBL148866 0.71 CYP2A6 (0.52) ALDH1A1HSD17B10HPGDTSHRCYP3A4

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1916244-B1 THIOPHENE COMPOUND HAVING SULFONYL GROUP AND PROCESS FOR PRODUCING THE SAME NISSAN CHEMICAL IND LTD (JP) 2013-12-04 — — EP disclosed
CN-101282959-B Thiophene compound having sulfonyl group and method for producing same NISSAN CHEMICAL IND LTD 2013-04-17 — — CN disclosed
EP-1882694-B1 OLIGOMERS AND POLYMERS OF THIOPHENE COMPOUNDS HAVING PHOSPHORIC ESTER AND PROCESS FOR PRODUCING THE SAME NISSAN CHEMICAL IND LTD (JP) 2013-04-03 — — EP disclosed
US-8030438-B2 Thiophene compound having phosphoric ester and process for producing the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-10-04 — — US disclosed
US-8008425-B2 Thiophene compound having sulfonyl group and process for producing the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-08-30 — — US disclosed
CN-102027631-A Dye for dye-sensitized solar cell and dye-sensitized solar cell NISSAN CHEMICAL IND LTD 2011-04-20 — — CN disclosed
US-20100019229-A1 Thiophene compound having phosphoric ester and process for producing the same NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2010-01-28 — — US disclosed
US-20090127491-A1 THIOPHENE COMPOUND HAVING SULFONYL GROUP AND PROCESS FOR PRODUCING THE SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-21 — — US disclosed
US-7521454-B2 Adenine derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-04-21 — — US disclosed
CN-101282959-A Thiophene compound having sulfonyl group and method for producing same NISSAN CHEMICAL IND LTD (JP) 2008-10-08 — — CN 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-1276035-C Water-color ink MITSUI CHEMICALS INC (JP) 2006-09-20 — — CN disclosed
CN-1250548-C Novel adenine derivatives SUMITOMO PHARMA (JP) 2006-04-12 — — CN disclosed
CN-1558934-A Water-color ink 三井化学株式会社 2004-12-29 — — CN disclosed
US-20040231558-A1 Has a clear hue, high light fastness and high moisture resistance MITSUI CHEMICALS, INC. (JP) 2004-11-25 — — US disclosed
EP-1441013-A1 WATERCOLOR INK Mitsui Chemicals, Inc. (JP) 2004-07-28 — — EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20100019229-A1 Thiophene compound having phosphoric ester and process for producing the same RRP12, NR2E1, TST ALDH1A1 4083/4885HSD17B10 1227/4885HPGD 3592/4885
US-20040132748-A1 Novel adenne derivatives IRF3, IFNAR1, STING1 ALDH1A1 1181/4885HSD17B10 2026/4885HPGD 2158/4885
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 ALDH1A1 2467/4885HSD17B10 1456/4885HPGD 2076/4885
US-20090127491-A1 THIOPHENE COMPOUND HAVING SULFONYL GROUP AND PROCESS FOR PRODUCING THE SAME TST, ABCG2, CBR3 ALDH1A1 1104/4885HSD17B10 147/4885HPGD 2516/4885

“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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