Sugi Predict

Sugi Predict / Compounds / Pyrrole

Pyrrole

Pyrrole

SCHEMBL5961895

Cc1cc(C)c(C=O)c(C)c1.c1cc[nH]c1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ERN1 O75460 2/20 0.34
▸ MAPT P10636 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MPI P34949 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ BLM P54132 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ RAPGEF4 Q8WZA2 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ MMP1 P03956 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
SCHEMBL79252 0.84 ERN1 (0.44) KMT2AALDH1A1SMN1; SMN2MEN1ERN1
SCHEMBL1929437 0.84 ERN1 (0.44) KMT2AALDH1A1SMN1; SMN2MEN1ERN1
SCHEMBL11045347 0.82 ERN1 (0.42) KMT2AALDH1A1SMN1; SMN2MEN1ERN1
SCHEMBL29169368 0.82 ERN1 (0.42) KMT2AALDH1A1SMN1; SMN2MEN1ERN1
SCHEMBL28225789 0.82 ERN1 (0.42) KMT2AALDH1A1SMN1; SMN2MEN1ERN1
Pyrrole SCHEMBL28443205 0.74 ALDH1A1 (0.42) ALDH1A1MAPTHPGDTSHRLMNA
Benzaldehyde SCHEMBL28318731 0.73 ALDH1A1 (0.56) KMT2AALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL1225993 0.72 KMT2A (0.41) KMT2AALDH1A1SMN1; SMN2MEN1ERN1
Phenol SCHEMBL10384375 0.72 RAPGEF4 (0.44) KMT2AALDH1A1SMN1; SMN2MEN1ERN1
Pyrrole SCHEMBL20533547 0.72 CA1 (0.46) ALDH1A1MAPTTSHRBLMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111499904-A Self-supporting cup [4] pyrrole nano-film and template-free preparation method and application thereof 陕西师范大学 2020-08-07 — — CN disclosed
US-7022862-B2 Scalable synthesis of dipyrromethanes NORTH CAROLINA STATE UNIVERSITY (US) 2006-04-04 — — US disclosed
US-20050038262-A1 aldehyde-pyrrole catalytic condensation leading to dipyrromethanes as a crystalline solid or as intermediates used for making porphyrin compounds; non-aqueous process NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-17 — — 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 (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-20050038262-A1 aldehyde-pyrrole catalytic condensation leading to dipyrromethanes as a crystalline solid or as intermediates used for making porphyrin compounds; non-aqueous process PPOX, DAO, DDO KMT2A 1574/4885ALDH1A1 72/4885SMN1; SMN2 4585/4885

“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.