Toluene

Toluene

SCHEMBL8583550

Cc1ccccc1.O=S(=O)(O)c1cccnc1

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAPRT Q6XQN6 1/20 0.76
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PTGS2 P35354 3/20 0.46
▸ EGFR P00533 1/20 0.46
▸ CYP3A4 P08684 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ NAMPT P43490 1/20 0.41
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A2 P43004 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 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
Toluene SCHEMBL28207041 0.98 NAPRT (0.73) NAPRTSMN1; SMN2TSHRKDM4ELMNA
3-Methylpyridine SCHEMBL27722549 0.90 NAPRT (0.65) NAPRTSMN1; SMN2TSHRKDM4ELMNA
Pyridine SCHEMBL25354696 0.89 NAPRT (0.69) NAPRTSMN1; SMN2TSHRKDM4ELMNA
SCHEMBL65447 0.87 NAPRT (1.00) NAPRTSMN1; SMN2TSHRKDM4EALDH1A1
SCHEMBL29727824 0.87 NAPRT (1.00) NAPRTSMN1; SMN2TSHRKDM4EALDH1A1
Toluene SCHEMBL29249545 0.86 SMN1; SMN2 (0.59) NAPRTSMN1; SMN2TSHRKDM4ELMNA
Pyridine SCHEMBL28513140 0.85 NAPRT (0.88) NAPRTSMN1; SMN2TSHRKDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL8023386 0.85 NAPRT (0.96) NAPRTSMN1; SMN2TSHRKDM4EALDH1A1
SCHEMBL1649252 0.85 NAPRT (0.96) NAPRTSMN1; SMN2TSHRKDM4EALDH1A1
SCHEMBL5082269 0.85 NAPRT (0.96) NAPRTSMN1; SMN2TSHRKDM4EALDH1A1

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-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2023-01-26 — — US disclosed
EP-3700911-A1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier SAS (FR) 2020-09-02 — — EP disclosed
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 — — US disclosed
EP-0143557-A2 Griseolic acid derivatives, and their use SANKYO COMPANY LIMITED (JP) 1985-06-05 — — EP disclosed
US-4203976-A ANTHELMINTICS, INSECTICIDES, PARASITICIDES, MITICIDES MERCK & CO., INC. (US) 1980-05-20 — — 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-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS CFD, CFH, TFPI NAPRT 2136/4885SMN1; SMN2 4033/4885TSHR 2110/4885

“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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